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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH known ✓ | P47989 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 2/20 | 0.40 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.36 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7818412 | 0.81 | CA1 (0.44) | S1PR3S1PR1 | |
| SCHEMBL7743907 | 0.79 | DAO (0.47) | DAOGPR52CYP11B2CYP11B1TRPV4 | |
| SCHEMBL6433917 | 0.78 | DAO (0.46) | DAOGPR52CYP11B2CYP11B1S1PR3 | |
| Hydrochloric Acid SCHEMBL7745910 | 0.78 | DAO (0.46) | DAOGPR52CYP11B2CYP11B1TRPV4 | |
| SCHEMBL6409770 | 0.77 | DAO (0.43) | DAOGPR52CYP11B2CYP11B1S1PR3 | |
| SCHEMBL6432281 | 0.75 | DAO (0.42) | DAOGPR52CYP11B2CYP11B1NTRK1 | |
| Bromide SCHEMBL6409244 | 0.74 | DAO (0.42) | DAOGPR52CYP11B2CYP11B1NTRK1 | |
| Hydrochloric Acid SCHEMBL6438009 | 0.74 | DAO (0.45) | DAOGPR52CYP11B2CYP11B1TRPV4 | |
| SCHEMBL24872449 | 0.71 | TRPV4 (0.61) | DAOGPR52CYP11B2CYP11B1TRPV4 | |
| SCHEMBL7933824 | 0.71 | TRPA1 (0.46) | DAOCACNA1H |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1090012-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1090012-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-2000001702-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |