Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL217557 | 0.98 | CYP1A2 (0.54) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL29756497 | 0.98 | CYP1A2 (0.54) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL27350086 | 0.87 | CDYL (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL11797323 | 0.86 | HPRT1 (0.54) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| Acetic Acid SCHEMBL27857297 | 0.85 | TDP1 (0.56) | CYP1A2MTNR1ANQO2TDP1ACP3 | |
| SCHEMBL79742 | 0.85 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL3047898 | 0.84 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL6680287 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL6679058 | 0.82 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL6686054 | 0.82 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101611008-A | C3A receptor modulators and methods of use thereof | ENCYSIVE PHARMACEUTICALS INC (US) | 2009-12-23 | — | — | CN | disclosed |