Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB4A known ✓ | P04350 | 1/20 | 0.52 |
| ▸ | TUBB known ✓ | P07437 | 1/20 | 0.52 |
| ▸ | TUBA3C known ✓ | P0DPH7 | 1/20 | 0.52 |
| ▸ | TUBA1B known ✓ | P68363 | 1/20 | 0.52 |
| ▸ | TUBA4A known ✓ | P68366 | 1/20 | 0.52 |
| ▸ | TUBB4B known ✓ | P68371 | 1/20 | 0.52 |
| ▸ | TUBB3 known ✓ | Q13509 | 1/20 | 0.52 |
| ▸ | TUBB2A known ✓ | Q13885 | 1/20 | 0.52 |
| ▸ | TUBB8 known ✓ | Q3ZCM7 | 1/20 | 0.52 |
| ▸ | TUBA3E known ✓ | Q6PEY2 | 1/20 | 0.52 |
| ▸ | TUBA1A known ✓ | Q71U36 | 1/20 | 0.52 |
| ▸ | TUBA1C known ✓ | Q9BQE3 | 1/20 | 0.52 |
| ▸ | TUBB6 known ✓ | Q9BUF5 | 1/20 | 0.52 |
| ▸ | TUBB2B known ✓ | Q9BVA1 | 1/20 | 0.52 |
| ▸ | TUBB1 known ✓ | Q9H4B7 | 1/20 | 0.52 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 8/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.71 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2044907 | 0.84 | IKBKB (0.77) | IKBKBCYP1A2CYP3A4CYP2C9BTK | |
| SCHEMBL1847243 | 0.83 | IKBKB (1.00) | IKBKBCYP1A2CYP3A4CYP2C9BTK | |
| SCHEMBL2158576 | 0.83 | IKBKB (0.75) | IKBKBCYP1A2CYP3A4CYP2C9BTK | |
| SCHEMBL4119811 | 0.81 | MAPT (1.00) | IKBKBCYP1A2CYP3A4CYP2C9BTK | |
| SCHEMBL12747672 | 0.79 | IKBKB (0.69) | IKBKBCYP1A2CYP3A4CYP2C9BTK | |
| SCHEMBL6607419 | 0.79 | MAPT (1.00) | IKBKBCYP1A2CYP3A4CYP2C9BTK | |
| SCHEMBL431794 | 0.78 | MAPT (0.74) | IKBKBCYP1A2CYP3A4CYP2C9BTK | |
| Hydrochloric Acid SCHEMBL8864118 | 0.76 | MAPT (0.72) | IKBKBCYP1A2CYP3A4CYP2C9BTK | |
| SCHEMBL4711452 | 0.75 | PTPN1 (0.64) | IKBKBCYP1A2CYP3A4CYP2C9BTK | |
| SCHEMBL1882680 | 0.74 | MAPT (1.00) | IKBKBCYP1A2CYP3A4CYP2C9BTK |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130123242-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2013-05-16 | — | — | US | disclosed |
| US-8329924-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2012-12-11 | — | — | US | disclosed |
| EP-2363396-A1 | Thiophene derivatives as antiviral agents for flavivirus infection | Virochem Pharma Inc. (CA) | 2011-09-07 | — | — | EP | disclosed |
| US-20110200553-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-08-18 | — | — | US | disclosed |
| US-7985769-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-26 | — | — | US | disclosed |
| EP-2206709-A2 | Thiophene derivatives as antiviral agents for flavivirus infection | Virochem Pharma Inc. (CA) | 2010-07-14 | — | — | EP | disclosed |
| EP-1401825-B1 | THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION | VIROCHEM PHARMA INC (CA) | 2009-08-05 | — | — | EP | disclosed |
| US-20060142347-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2006-06-29 | — | — | US | disclosed |
| US-6881741-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VIROCHEM PHARMA INC. (CA) | 2005-04-19 | — | — | US | disclosed |
| US-20040116509-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | SHIRE BIOCHEM INC. (CA) | 2004-06-17 | — | — | US | disclosed |
| EP-1401825-A2 | THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION | Shire Biochem Inc. (CA) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002100851-A2 | THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION | SHIRE BIOCHEM INC. (CA) | 2002-12-19 | — | — | WO | disclosed |
| EP-0269295-B1 | THERAPEUTIC AGENTS | The Boots Company PLC (GB) | 1991-06-26 | — | — | EP | disclosed |
| US-4877793-A | CARDIOVASCULAR DISORDERS | THE BOOTS COMPANY, PLC (GB) | 1989-10-31 | — | — | US | disclosed |
| EP-0269295-A1 | Therapeutic agents | The Boots Company PLC (GB) | 1988-06-01 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110200553-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | HAVCR2, ZC3HAV1, MAVS | TUBB4A 1551/4885TUBB 1678/4885TUBA3C 1011/4885 |
| US-20130123242-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | HAVCR2, ZC3HAV1, MAVS | TUBB4A 1551/4885TUBB 1678/4885TUBA3C 1011/4885 |
| US-20060142347-A1 | Compounds and methods for the treatment or prevention of Flavivirus infections | HAVCR2, ZC3HAV1, MAVS | TUBB4A 1551/4885TUBB 1678/4885TUBA3C 1011/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.