Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | PRF1 | P14222 | 3/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20860616 | 0.81 | CYP2E1 (0.51) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL2554396 | 0.78 | CYP2E1 (0.49) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL526386 | 0.77 | CYP2E1 (0.55) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL572604 | 0.75 | CYP2A6 (0.66) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL9199395 | 0.73 | CYP2E1 (0.54) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL17057434 | 0.72 | CYP2A6 (0.46) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL1133684 | 0.72 | APP (0.54) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL16533152 | 0.71 | CYP2A6 (0.56) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL526493 | 0.71 | CYP2E1 (0.42) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL1133851 | 0.71 | MAPT (0.47) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 |
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-2012013719-A1 | NEW CYCLOMETALATED COMPLEXES FOR SOLAR CELLS | UNIVERSITA' DEGLI STUDI DI MILANO BICOCCA (IT) | 2012-02-02 | — | — | WO | disclosed |