Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | GPX4 | P36969 | 4/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | VDR | P11473 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11626541 | 0.93 | HRH3 (0.53) | CYP3A4CYP3A5HRH3ALDH1A1HPGD | |
| SCHEMBL11626546 | 0.90 | CYP3A4 (0.50) | CYP3A4CYP3A5HRH3ALDH1A1HPGD | |
| SCHEMBL10933074 | 0.81 | CNR1 (0.50) | CYP3A4HRH3GPX4ALOX12KMT2A | |
| SCHEMBL11623725 | 0.80 | CYP3A4 (0.53) | CYP3A4CYP3A5HRH3ALDH1A1HPGD | |
| SCHEMBL11627527 | 0.80 | HRH3 (0.45) | HRH3ALDH1A1HPGDCHRM1HTR2A | |
| SCHEMBL11627158 | 0.79 | CYP2D6 (0.54) | HRH3ALDH1A1 | |
| SCHEMBL11625976 | 0.75 | KDM4E (0.44) | CYP3A4HRH3CHRM1HTR2AMC4R | |
| Hydrochloric Acid SCHEMBL10935827 | 0.75 | PANK3 (0.54) | CYP3A4CYP3A5ALDH1A1HPGDKMT2A | |
| SCHEMBL10503605 | 0.74 | KDM4E (0.48) | HRH3HTR2AMC4R | |
| SCHEMBL10937631 | 0.74 | CNR1 (0.48) | CYP3A4HRH3GPX4ALOX12KMT2A |
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-4125612-A | N-1-(p-Biphenylalkyl)piperazines and their use as anti-inflammatory agents | SCHERING CORPORATION (US) | 1978-11-14 | — | — | US | disclosed |