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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | PROKR1 | Q8TCW9 | 3/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.30 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
| ▸ | CHUK | O15111 | 1/20 | 0.30 |
| ▸ | IKBKG | Q9Y6K9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL938865 | 0.99 | NR1I2 (0.46) | NR1I2CYP2E1PROKR1HCRTR1HCRTR2 | |
| SCHEMBL12909685 | 0.93 | NR1I2 (0.54) | NR1I2CYP2E1PROKR1HCRTR1HCRTR2 | |
| SCHEMBL12909868 | 0.93 | NR1I2 (0.54) | NR1I2CYP2E1PROKR1HCRTR1HCRTR2 | |
| SCHEMBL12909615 | 0.92 | NR1I2 (0.54) | NR1I2CYP2E1PROKR1HCRTR1HCRTR2 | |
| SCHEMBL938880 | 0.92 | NR1I2 (0.42) | NR1I2CYP2E1HCRTR1HCRTR2 | |
| SCHEMBL937892 | 0.87 | NR1I2 (0.43) | NR1I2CYP2E1 | |
| SCHEMBL937770 | 0.85 | NR1I2 (0.44) | NR1I2CYP2E1 | |
| SCHEMBL12909613 | 0.85 | NR1I2 (0.49) | NR1I2CYP2E1HCRTR1HCRTR2 | |
| SCHEMBL12945308 | 0.83 | NR1I2 (0.40) | NR1I2CYP2E1PROKR1 | |
| SCHEMBL939364 | 0.82 | NR1I2 (0.43) | NR1I2CYP2E1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140030223-A1 | INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES, INC. (US) | 2014-01-30 | — | — | US | disclosed |
| US-8569302-B2 | Inhibitors of flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2013-10-29 | — | — | US | disclosed |
| EP-2475657-B1 | 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2013-06-12 | — | — | EP | disclosed |
| US-20110020278-A1 | INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES, INC. (US) | 2011-01-27 | — | — | US | 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 (2 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-20140030223-A1 | INHIBITORS OF FLAVIVIRIDAE VIRUSES | HAVCR2, CYP2F1, CYP4F3 | NR1I2 88/4885CYP2E1 6/4885PROKR1 4375/4885 |
| US-20110020278-A1 | INHIBITORS OF FLAVIVIRIDAE VIRUSES | HAVCR2, CYP2F1, CYP4F3 | NR1I2 88/4885CYP2E1 6/4885PROKR1 4375/4885 |
“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.