Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | ADK | P55263 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 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 | 0.81 | CYP19A1 (0.42) | CYP19A1TAAR1MTORADKNISCH | |
| Hydrochloric Acid SCHEMBL8130165 | 0.80 | CYP19A1 (0.41) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL5738213 | 0.79 | NISCH (0.43) | CYP19A1TAAR1MTORADKNISCH | |
| Trityl Imidazole SCHEMBL1572623 | 0.78 | MTOR (0.45) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL10894207 | 0.78 | TAAR1 (0.35) | CYP19A1TAAR1 | |
| SCHEMBL15263039 | 0.76 | CYP19A1 (0.61) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL11089506 | 0.75 | MTOR (0.45) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL6571082 | 0.75 | CYP19A1 (0.39) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL4379264 | 0.74 | TAAR1 (0.37) | CYP19A1TAAR1MTORADKNISCH | |
| SCHEMBL1484199 | 0.73 | CYP19A1 (0.41) | 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 |