Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5182645 | 0.79 | CYP1A2 (0.38) | ALDH1A1CYP1A2LMNAMAPT | |
| SCHEMBL6509046 | 0.77 | MAOA (0.54) | MAOAALDH1A1MAP4K4TAAR1CA12 | |
| SCHEMBL30549059 | 0.77 | MAOA (0.54) | MAOAALDH1A1MAP4K4TAAR1CA12 | |
| SCHEMBL12480139 | 0.76 | MAOA (0.45) | MAOAALDH1A1MAP4K4TAAR1CA12 | |
| SCHEMBL5778165 | 0.75 | TYMP (0.34) | — | |
| SCHEMBL4688554 | 0.73 | PTGS2 (0.38) | MCL1 | |
| SCHEMBL436848 | 0.73 | NPC1 (0.39) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3785823 | 0.72 | MAOA (0.48) | MAOAALDH1A1MAP4K4TAAR1CA12 | |
| SCHEMBL8264667 | 0.72 | MAOA (0.48) | MAOAALDH1A1MAP4K4TAAR1CA12 | |
| SCHEMBL1745091 | 0.72 | PTGES (0.35) | TAAR1CYP1A2MEN1LMNAKMT2A |
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-1603909-A4 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-09-03 | — | — | EP | claimed |
| EP-1603909-A2 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | Brystol-Myers Squibb Company (US) | 2005-12-14 | — | — | EP | claimed |
| WO-2004083177-A2 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | BRYSTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | claimed |
| EP-1603909-A4 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-09-03 | — | — | EP | disclosed |
| EP-1603909-A2 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | Brystol-Myers Squibb Company (US) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004083177-A2 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | BRYSTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |