Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | ADK | P55263 | 1/20 | 0.37 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.34 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL5335304 | 0.82 | SMPD3 (0.51) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL7734244 | 0.77 | MAOB (0.47) | ALDH1A1PTPN1KCNH2PTPN2PTPN6 | |
| SCHEMBL5310372 | 0.75 | NISCH (0.56) | NISCHCYP1A2ALDH1A1MAOB | |
| Hydrochloric Acid SCHEMBL10466228 | 0.75 | NISCH (0.64) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL674010 | 0.74 | NISCH (1.00) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL7732923 | 0.74 | AR (0.51) | CYP3A4ALDH1A1PTPN1KCNH2MAOB | |
| SCHEMBL28230038 | 0.72 | NISCH (0.96) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL28110769 | 0.72 | NISCH (0.96) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL27451043 | 0.72 | NISCH (0.96) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 | |
| SCHEMBL27974204 | 0.72 | NISCH (0.96) | NISCHCYP1A2CYP3A4CYP2D6CYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1545544-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | Combinatorx, Incorporated (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004006842-A2 | COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS | COMBINATORX, INCORPORATED (US) | 2004-01-22 | — | — | WO | disclosed |