Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 5/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.50 |
| ▸ | CYP2J2 | P51589 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9786898 | 1.00 | HRH1 (0.51) | HRH1KCNH2CYP2J2MEN1NPC1 | |
| SCHEMBL9786960 | 1.00 | HRH1 (0.51) | HRH1KCNH2CYP2J2MEN1NPC1 | |
| Water SCHEMBL9786974 | 0.99 | HRH1 (0.50) | HRH1KCNH2CYP2J2MEN1 | |
| SCHEMBL9786845 | 0.99 | HRH1 (0.52) | HRH1KCNH2CYP2J2MEN1NPC1 | |
| SCHEMBL9786842 | 0.94 | CYP2J2 (0.51) | HRH1KCNH2CYP2J2MEN1NPC1 | |
| SCHEMBL9786858 | 0.90 | CYP2J2 (0.58) | HRH1KCNH2CYP2J2MEN1NPC1 | |
| SCHEMBL9786852 | 0.89 | CYP19A1 (0.50) | HRH1KCNH2CYP2J2 | |
| SCHEMBL11872078 | 0.86 | HRH1 (0.67) | HRH1KCNH2CYP2J2MEN1 | |
| SCHEMBL7439663 | 0.85 | KCNH2 (0.51) | HRH1KCNH2CYP2J2MEN1NPC1 | |
| SCHEMBL5694766 | 0.85 | HRH1 (0.68) | HRH1KCNH2CYP2J2MEN1 |
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-5063235-A | 4-[(diaryl)hydromethyl]-1-piperidinealkanols and esters and carbamates thereof useful in the treatment of allergic disorders | A. H. ROBINS COMPANY, INC. (US) | 1991-11-05 | — | — | US | disclosed |