Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5952852 | 0.96 | CYP2A6 (0.56) | CYP2A6CYP1A2RAB9AHSD17B1HSD17B2 | |
| SCHEMBL443528 | 0.82 | CYP2A6 (0.80) | CYP2A6CYP1A2RAB9AHSD17B1HSD17B2 | |
| SCHEMBL29367032 | 0.82 | CYP2A6 (0.80) | CYP2A6CYP1A2RAB9AHSD17B1HSD17B2 | |
| SCHEMBL8499457 | 0.82 | PDE4A (0.41) | CYP2A6CYP1A2RAB9AKDM4ECYP17A1 | |
| SCHEMBL1793381 | 0.80 | CYP2A6 (0.38) | CYP2A6CYP1A2 | |
| SCHEMBL6891918 | 0.78 | CYP1A2 (0.71) | CYP2A6CYP1A2RAB9AHSD17B1HSD17B2 | |
| SCHEMBL2249185 | 0.78 | CYP1A2 (0.71) | CYP2A6CYP1A2RAB9AHSD17B1HSD17B2 | |
| SCHEMBL7452675 | 0.78 | CYP1A2 (0.71) | CYP2A6CYP1A2RAB9AHSD17B1HSD17B2 | |
| SCHEMBL7451812 | 0.78 | CYP1A2 (0.71) | CYP2A6CYP1A2RAB9AHSD17B1HSD17B2 | |
| SCHEMBL7456084 | 0.78 | CYP1A2 (0.71) | CYP2A6CYP1A2RAB9AHSD17B1HSD17B2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0853618-B1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARMA INC (US) | 2011-08-17 | — | — | EP | disclosed |
| EP-0853618-A4 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHONE POULENC RORER PHARMA (US) | 2000-03-15 | — | — | EP | disclosed |
| US-5958918-A | Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds | RHONE-POULENC RORER PHARMACEUTICALS INC. | 1999-09-28 | — | — | US | disclosed |
| EP-0853618-A1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1998-07-22 | — | — | EP | disclosed |
| WO-1996040679-A1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS | RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) | 1996-12-19 | — | — | WO | disclosed |