Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 4/20 | 0.47 |
| ▸ | HRH1 | P35367 | 4/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12813911 | 0.92 | HTR2A (0.57) | HTR2AMEN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9602778 | 0.85 | HTR2A (0.53) | HTR2AMEN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10294633 | 0.80 | HTR2A (0.60) | HTR2AMEN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9528044 | 0.78 | HTR2A (0.45) | HTR2AMEN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3056725 | 0.76 | KDM4E (0.64) | HTR2AMEN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10763408 | 0.76 | HTR2A (0.43) | HTR2AMEN1CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL10470254 | 0.76 | HTR2A (0.43) | HTR2AMEN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13532586 | 0.76 | HTR1A (0.50) | HTR2AHTR1ADRD2 | |
| SCHEMBL9600927 | 0.76 | HTR1A (0.44) | HTR2AHTR1ADRD2 | |
| SCHEMBL9527873 | 0.75 | — | — |
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-4766215-A | Histamine H1 -receptor antagonists | AMERICAN HOME PRODUCTS CORPORATION (US) | 1988-08-23 | — | — | US | disclosed |