Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7802984 | 0.87 | CYP19A1 (0.42) | CYP19A1TAAR1MTORADKNISCH | |
| Hydrochloric Acid SCHEMBL8130165 | 0.86 | CYP19A1 (0.41) | CYP19A1TAAR1MTORADKNISCH | |
| Trityl Imidazole SCHEMBL1572623 | 0.82 | MTOR (0.45) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL15263039 | 0.79 | CYP19A1 (0.61) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL11089506 | 0.78 | MTOR (0.45) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL9669719 | 0.78 | TAAR1 (0.36) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL1484199 | 0.76 | CYP19A1 (0.41) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL5738213 | 0.76 | NISCH (0.43) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL3827055 | 0.76 | CYP19A1 (0.41) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL11863057 | 0.76 | CYP19A1 (0.61) | CYP19A1TAAR1MTORADKNISCH |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1427418-A4 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | UNIV YALE (US) | 2004-11-17 | — | — | EP | disclosed |
| EP-1427418-A2 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | YALE UNIVERSITY (US) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003017939-A2 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS AND METHODS OF TREATMENT | YALE UNIVERSITY (US) | 2003-03-06 | — | — | WO | disclosed |