Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.59 |
| ▸ | ITGB3 | P05106 | 9/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 9/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9024372 | 0.86 | ITGB3 (0.59) | HRH3ITGB3ITGA2BALDH1A1GAA | |
| SCHEMBL16599286 | 0.79 | AKR1C3 (0.58) | ITGB3ITGA2BALDH1A1GAASMN1; SMN2 | |
| SCHEMBL8838123 | 0.76 | ITGB3 (0.70) | ITGB3ITGA2BSMN1; SMN2AKR1C3CYP2C9 | |
| SCHEMBL7401896 | 0.76 | HRH3 (0.62) | HRH3ITGB3ITGA2BHIF1AALDH1A1 | |
| SCHEMBL38663059 | 0.75 | HIF1A (0.76) | HRH3HIF1AALDH1A1GAAROCK2 | |
| Hydrochloric Acid SCHEMBL9023636 | 0.75 | ITGB3 (0.64) | HRH3ITGB3ITGA2B | |
| SCHEMBL28784972 | 0.74 | HRH3 (0.57) | HRH3ITGB3ITGA2BHIF1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL6207497 | 0.74 | HRH3 (0.61) | HRH3ITGB3ITGA2BHIF1AALDH1A1 | |
| SCHEMBL14844134 | 0.74 | HRH3 (1.00) | HRH3 | |
| SCHEMBL8838202 | 0.73 | AKR1C3 (0.54) | ITGB3ITGA2BALDH1A1GAASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0718287-A2 | Piperazine derivatives, medicaments containing them, their use, and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1996-06-26 | — | — | EP | disclosed |