Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.56 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1357023 | 0.86 | CYP2A6 (0.67) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL4347551 | 0.78 | KCNH2 (0.48) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL4135591 | 0.78 | CYP2A6 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL30613331 | 0.78 | CYP2A6 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL12608111 | 0.78 | CYP2A6 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL12608100 | 0.78 | CYP2E1 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL4135586 | 0.78 | CYP2C9 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL26387047 | 0.78 | CYP2E1 (0.56) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL7500094 | 0.77 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL25171070 | 0.75 | CYP2E1 (0.49) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1418882-A | Substituted sulfonic acid N- [ (aminoiminomethyl) phenylalkyl ] -azacyclic amide compounds | AVENTIS PHARMACENEITCALS INC (US) | 2003-05-21 | — | — | CN | disclosed |
| CN-1093856-C | Substituted sulfonic acid N- [ (aminoiminomethyl) phenylalkyl ] -azacyclic amide compounds | AVENTIS PHARM PROD INC (US) | 2002-11-06 | — | — | CN | disclosed |
| EP-0894088-A4 | SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE POULENC RORER PHARMA (US) | 2001-12-05 | — | — | EP | disclosed |
| US-6034093-A | Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 2000-03-07 | — | — | US | disclosed |
| CN-1213370-A | Substituted sulfonic acid N- [ (aminoiminomethyl) phenylalkyl ] -azacyclic amide compounds | RHONE POULENC RORER PHAMACEUTI (US) | 1999-04-07 | — | — | CN | disclosed |
| EP-0894088-A1 | SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1999-02-03 | — | — | EP | disclosed |
| WO-1998024784-A1 | SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1998-06-11 | — | — | WO | disclosed |
| US-5731315-A | Substituted sulfonic acid n- (aminoiminomethyl)phenylalkyl!-azaheterocyclamide compounds | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1998-03-24 | — | — | US | disclosed |