Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8097032 | 0.86 | TP53 (0.50) | TAAR1ACHEIDO1MAOBMAOA | |
| SCHEMBL1078091 | 0.84 | PNMT (0.44) | TAAR1IDO1TP53KDM4E | |
| SCHEMBL1987774 | 0.82 | MAOB (0.46) | ACHEMAOBCYP2A6TDP1KDM4E | |
| SCHEMBL4953933 | 0.81 | TP53 (0.48) | TAAR1ACHEIDO1MAOBMAOA | |
| SCHEMBL5056468 | 0.79 | CYP2A6 (0.50) | TAAR1ACHEIDO1MAOBMAOA | |
| SCHEMBL21179476 | 0.77 | CYP2A6 (0.48) | TAAR1ACHEIDO1MAOBMAOA | |
| SCHEMBL8207446 | 0.77 | TP53 (0.48) | TAAR1ACHEIDO1MAOBMAOA | |
| SCHEMBL9451937 | 0.76 | MAOB (0.56) | ACHEMAOBMAOANFE2L2RELA | |
| SCHEMBL5793223 | 0.75 | TAAR1 (0.52) | TAAR1ACHEIDO1MAOBMAOA | |
| SCHEMBL10783126 | 0.75 | IDO1 (0.55) | TAAR1ACHEIDO1MAOBMAOA |
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-8129531-B2 | Using an isoquinoline compound; alkylation of benzonitrile; reduction ofnitrile to an amine; cyclization | BASF AKTIENGESELLSCHAFT (DE) | 2012-03-06 | — | — | US | claimed |
| WO-1997037986-A1 | ENDOTHELIN ANTAGONISTS WITH ETHER-LINKED GROUPS | WARNER-LAMBERT COMPANY (US) | 1997-10-16 | — | — | WO | claimed |