Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.40 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1639869 | 0.79 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C9CYP2C19MAOA | |
| SCHEMBL30561268 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19MAOA | |
| SCHEMBL679994 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19MAOA | |
| SCHEMBL5943918 | 0.77 | MEN1 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19MAOA | |
| SCHEMBL21685531 | 0.74 | KDM1A (0.52) | MAOARAB9AMAOBLTA4HGAA | |
| SCHEMBL31305020 | 0.72 | GAA (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19MAOA | |
| SCHEMBL113777 | 0.72 | GAA (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19MAOA | |
| SCHEMBL941303 | 0.72 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19MAOA | |
| SCHEMBL8030933 | 0.71 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C9CYP2C19MAOA | |
| Water SCHEMBL5145621 | 0.71 | GAA (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19MAOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999026932-A1 | BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS | AXYS PHARMACEUTICALS, INC. (US) | 1999-06-03 | — | — | WO | disclosed |