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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.70 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.70 |
| ▸ | CFTR | P13569 | 20/20 | 0.70 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.70 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.70 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.70 |
| ▸ | MC4R | P32245 | 1/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL4174033 | 0.91 | CFTR (0.71) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL4186073 | 0.90 | CFTR (0.70) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL4186066 | 0.90 | CFTR (0.70) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL26734614 | 0.88 | CFTR (0.76) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL17030124 | 0.87 | CFTR (0.74) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL17679503 | 0.87 | CFTR (0.74) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL25874767 | 0.87 | CFTR (0.74) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL26734206 | 0.87 | CFTR (0.74) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL22872817 | 0.86 | CFTR (0.73) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL6730386 | 0.86 | CFTR (0.73) | CFTRADORA3ADRB3TBXA2RSLC6A2 |
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-20150336898-A1 | Prodrugs of Modulators of ABC Transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2015-11-26 | — | — | US | disclosed |
| US-20140243289-A1 | PRODRUGS OF MODULATORS OF ABC TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-28 | — | — | US | disclosed |
| US-20130303484-A1 | Prodrugs of Modulators of ABC Transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2013-11-14 | — | — | US | disclosed |
| US-20090105272-A1 | Prodrugs of modulators of ABC transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2009-04-23 | — | — | 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 (4 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-20090105272-A1 | Prodrugs of modulators of ABC transporters | ABCB1, CFTR, ABCB11 | ADORA3 364/4885PTGS2 1235/4885CFTR 2/4885 |
| US-20130303484-A1 | Prodrugs of Modulators of ABC Transporters | ABCB1, CFTR, ABCB11 | ADORA3 364/4885PTGS2 1235/4885CFTR 2/4885 |
| US-20150336898-A1 | Prodrugs of Modulators of ABC Transporters | ABCB1, CFTR, ABCB11 | ADORA3 364/4885PTGS2 1235/4885CFTR 2/4885 |
| US-20140243289-A1 | PRODRUGS OF MODULATORS OF ABC TRANSPORTERS | ABCB1, CFTR, ABCB11 | ADORA3 364/4885PTGS2 1235/4885CFTR 2/4885 |
“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.