Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | CPA3 | P15088 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 2/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | MME | P08473 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8696247 | 0.78 | GFER (0.41) | ANPEPMAOA | |
| SCHEMBL12435541 | 0.77 | MAOB (0.47) | CYP1A2EPHX1ANPEPPKMSLC6A2 | |
| SCHEMBL10940258 | 0.77 | EPHX1 (0.44) | CYP1A2EPHX1CPA3ANPEPMME | |
| SCHEMBL22798139 | 0.76 | CYP1A2 (0.48) | CYP1A2EPHX1CPA3FOLH1ANPEP | |
| SCHEMBL1697450 | 0.76 | CYP1A2 (0.48) | CYP1A2EPHX1CPA3FOLH1ANPEP | |
| SCHEMBL27758693 | 0.74 | CYP1A2 (0.46) | CYP1A2EPHX1CPA3FOLH1ANPEP | |
| SCHEMBL28108544 | 0.74 | FOLH1 (0.50) | CYP1A2EPHX1CPA3FOLH1ANPEP | |
| SCHEMBL28422388 | 0.74 | TAAR1 (0.43) | CYP1A2EPHX1ANPEPSLC6A2TAAR1 | |
| SCHEMBL5561126 | 0.73 | CYP1A2 (0.50) | CYP1A2EPHX1CPA3FOLH1ANPEP | |
| SCHEMBL97558 | 0.73 | TAAR1 (0.52) | CYP1A2EPHX1SLC6A2TAAR1MAOA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0187956-A2 | Pharmaceutical composition for the treatment of defects of the gastrointestinal mucous membrane | BOEHRINGER INGELHEIM KG (DE) | 1986-07-23 | — | — | EP | claimed |
| EP-1051419-A4 | DEPROTECTION AND RECRYSTALLIZATION PROCESSES | BRISTOL MYERS SQUIBB CO (US) | 2002-08-28 | — | — | EP | disclosed |
| EP-1051419-A1 | DEPROTECTION AND RECRYSTALLIZATION PROCESSES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999035145-A1 | DEPROTECTION AND RECRYSTALLIZATION PROCESSES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-07-15 | — | — | WO | disclosed |
| EP-0187956-A2 | Pharmaceutical composition for the treatment of defects of the gastrointestinal mucous membrane | BOEHRINGER INGELHEIM KG (DE) | 1986-07-23 | — | — | EP | disclosed |
| US-3969412-A | 16,17-Seco-delta 4,9(10) and -delta 4,9(10),11 steroids | SYNTEX (U.S.A.) INC. (US) | 1976-07-13 | — | — | US | disclosed |