Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.46 |
| ▸ | PRF1 | P14222 | 1/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | COMT | P21964 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL17057434 | 0.82 | CYP2A6 (0.46) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL13859292 | 0.81 | CYP2A6 (0.54) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL70783 | 0.79 | APP (0.67) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL2554396 | 0.78 | CYP2E1 (0.49) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL20860616 | 0.77 | CYP2E1 (0.51) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL526657 | 0.77 | CYP2A6 (0.51) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL526493 | 0.76 | CYP2E1 (0.42) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL631055 | 0.76 | KDM4E (0.64) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL10472980 | 0.76 | APP (0.73) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL7905308 | 0.76 | APP (0.68) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 |
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 |