Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | MMP12 | P39900 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7908877 | 1.00 | NPC1 (0.45) | NPC1RAB9ACES2CES1SLC6A2 | |
| SCHEMBL7901026 | 0.91 | MRGPRX4 (0.52) | — | |
| SCHEMBL7901022 | 0.91 | MRGPRX4 (0.52) | — | |
| SCHEMBL7908386 | 0.89 | KAT6A (0.41) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7908388 | 0.89 | KAT6A (0.41) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8545564 | 0.89 | TAS1R3 (0.44) | NPC1RAB9ACES2CES1SLC6A2 | |
| SCHEMBL7907471 | 0.89 | SMPD1 (0.52) | — | |
| SCHEMBL7907467 | 0.89 | SMPD1 (0.52) | — | |
| SCHEMBL7900921 | 0.86 | MAOB (0.54) | — | |
| SCHEMBL7900916 | 0.86 | MAOB (0.54) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0728128-B1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE POULENC RORER LTD (GB) | 1998-09-16 | — | — | EP | claimed |
| EP-0728128-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1996-08-28 | — | — | EP | claimed |
| WO-1995013262-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1995-05-18 | — | — | WO | claimed |
| US-6211234-B1 | BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID | RHONE-POULENC RORER LIMITED (GB) | 2001-04-03 | — | — | US | disclosed |
| EP-0728128-B1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE POULENC RORER LTD (GB) | 1998-09-16 | — | — | EP | disclosed |
| EP-0728128-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995013262-A1 | SUBSTITUTED PHENYL COMPOUNDS | RHONE-POULENC RORER LIMITED (GB) | 1995-05-18 | — | — | WO | disclosed |