Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GPX4 | P36969 | 3/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11623216 | 0.93 | CYP3A4 (0.48) | HRH3CYP3A4CYP3A5ALDH1A1HPGD | |
| SCHEMBL11626546 | 0.87 | CYP3A4 (0.50) | HRH3CYP3A4CYP3A5ALDH1A1HPGD | |
| SCHEMBL10937631 | 0.82 | CNR1 (0.48) | HRH3CYP3A4GPX4ALOX12TP53 | |
| SCHEMBL11624816 | 0.81 | HRH3 (0.55) | HRH3ALDH1A1HPGDOPRM1OPRD1 | |
| SCHEMBL11625461 | 0.80 | HRH3 (0.58) | HRH3ALDH1A1OPRM1OPRD1OPRK1 | |
| SCHEMBL11623725 | 0.78 | CYP3A4 (0.53) | HRH3CYP3A4CYP3A5ALDH1A1HPGD | |
| SCHEMBL11625094 | 0.77 | HRH3 (0.51) | HRH3ALDH1A1HPGDOPRM1OPRD1 | |
| SCHEMBL11627583 | 0.76 | HRH3 (0.53) | HRH3OPRK1TP53HTR2AKMT2A | |
| SCHEMBL11620858 | 0.76 | HRH3 (0.53) | HRH3ALDH1A1OPRM1OPRD1OPRK1 | |
| SCHEMBL10933074 | 0.74 | CNR1 (0.50) | HRH3CYP3A4GPX4ALOX12TP53 |
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 |