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 | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GHSR | Q92847 | 2/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | LTB4R | Q15722 | 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 | |
|---|---|---|---|---|
| SCHEMBL1150210 | 0.93 | ROCK2 (0.34) | ROCK2CYP19A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL29922027 | 0.93 | ROCK2 (0.34) | ROCK2CYP19A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL7917122 | 0.92 | ROCK2 (0.34) | ROCK2CYP19A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL7913240 | 0.87 | ROCK2 (0.34) | ROCK2CYP19A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL7903224 | 0.86 | CYP19A1 (0.34) | ROCK2CYP19A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL7911578 | 0.86 | BCL2 (0.35) | ROCK2CYP19A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL7911557 | 0.86 | FFAR1 (0.35) | ROCK2CYP19A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL7913269 | 0.84 | ROCK2 (0.34) | ROCK2CYP19A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL795594 | 0.80 | ROCK2 (0.34) | ROCK2CYP19A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL7913410 | 0.80 | FFAR1 (0.36) | ROCK2FFAR1RAD52 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6291485-B1 | TREATMENT OF POST-PTCA RESTENOSIS | TEIKOKU HORMONE MFG. CO., LTD. (JP) | 2001-09-18 | — | — | US | disclosed |
| EP-1002797-A1 | 4,5-DIHYDRO- 1H]-BENZ g]INDAZOLE-3-CARBOXYLIC ACID DERIVATIVES | TEIKOKU HORMONE MFG. CO., LTD. (JP) | 2000-05-24 | — | — | EP | disclosed |