Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 15/20 | 0.65 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.60 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2626810 | 0.80 | HRH3 (0.65) | HRH3TAAR1CYP2D6HRH4ADRA2A | |
| SCHEMBL2626857 | 0.79 | HRH3 (1.00) | HRH3TAAR1CYP2D6HRH4 | |
| SCHEMBL1034848 | 0.78 | HRH3 (1.00) | HRH3TAAR1CYP2D6HRH4CYP3A4 | |
| SCHEMBL2626821 | 0.76 | HRH3 (0.60) | HRH3TAAR1CYP2D6HRH4ADRA2A | |
| SCHEMBL2626854 | 0.74 | HRH3 (0.78) | HRH3TAAR1CYP2D6HRH4ADRA2A | |
| SCHEMBL2626848 | 0.74 | HRH3 (0.57) | HRH3TAAR1CYP2D6HRH4ADRA2A | |
| SCHEMBL9352538 | 0.73 | IDO1 (0.58) | CYP2D6SMN1; SMN2 | |
| SCHEMBL2626850 | 0.73 | HRH3 (0.63) | HRH3TAAR1CYP2D6HRH4 | |
| SCHEMBL21636133 | 0.71 | HRH3 (0.57) | HRH3TAAR1CYP2D6HRH4CYP3A4 | |
| SCHEMBL2626846 | 0.71 | HRH3 (0.53) | HRH3TAAR1CYP2D6HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4328162-A | Process for preparing 9,11-unsaturated steroidal compound from the corresponding saturated steroidal compound | EASTMAN KODAK COMPANY (US) | 1982-05-04 | — | — | US | disclosed |