Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27730951 | 0.82 | TAAR1 (0.44) | NPC1RAB9ACA12CA9KDM4E | |
| SCHEMBL11824058 | 0.79 | AKR1B1 (0.53) | NPC1RAB9ACA12CA9KDM4E | |
| SCHEMBL1399430 | 0.78 | HTR2C (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1 | |
| SCHEMBL20494540 | 0.78 | NPC1 (0.46) | NPC1RAB9ACA12CA9KDM4E | |
| SCHEMBL15269326 | 0.78 | HPGD (0.54) | NPC1RAB9ACA12CA9KDM4E | |
| SCHEMBL8751750 | 0.76 | ALDH1A1 (0.55) | NPC1RAB9ACA12CA9KDM4E | |
| SCHEMBL28696002 | 0.76 | HPGD (0.46) | NPC1RAB9ACA12CA9KDM4E | |
| SCHEMBL1028247 | 0.76 | PRKCI (0.37) | NPC1RAB9ACA12CA9KDM4E | |
| SCHEMBL9700565 | 0.76 | SIGMAR1 (0.50) | KDM4EALDH1A1CYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL180384 | 0.76 | NPC1 (0.73) | NPC1RAB9ACA12CA9ALDH1A1 |
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-2590951-B1 | BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS | PFIZER LTD (GB) | 2015-01-07 | — | — | EP | disclosed |
| US-8772293-B2 | Chemical compounds | PFIZER LIMITED (GB) | 2014-07-08 | — | — | US | disclosed |
| EP-2590951-A1 | BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS | Pfizer Limited (GB) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004743-A1 | BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS | PFIZER LIMITED (GB) | 2012-01-12 | — | — | WO | disclosed |
| CN-100591666-C | 2- (1H-indolylsulfanyl) -benzylamine derivatives as SSRIs | LUNDBECK & CO AS H | 2010-02-24 | — | — | CN | disclosed |
| CN-101372474-A | 2-(1h-indolylsulfanyl)-benzyl amine derivatives as SSRI | LUNDBECK & CO AS H (DK) | 2009-02-25 | — | — | CN | disclosed |
| CN-1898204-A | 2- (1H-indolylsulfanyl) -benzylamine derivatives as SSRIs | LUNDBECK & CO AS H (DK) | 2007-01-17 | — | — | CN | disclosed |