Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | SUMO3 | P55854 | 1/20 | 0.45 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.45 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12831691 | 0.84 | CYP1A2 (0.58) | CYP1A2ALDH1A1CYP2C19HRH3LMNA | |
| SCHEMBL1921574 | 0.83 | HRH3 (0.70) | CYP1A2ALDH1A1CYP2C19HRH3LMNA | |
| SCHEMBL5411231 | 0.82 | CHRM2 (0.56) | ALDH1A1ALOX15TDP1CHRM2SUMO3 | |
| SCHEMBL23053146 | 0.81 | CYP1A2 (0.69) | CYP1A2ALDH1A1CYP2C19HRH3LMNA | |
| SCHEMBL1392847 | 0.78 | CHRM2 (0.70) | CYP1A2ALDH1A1CYP2C19HRH3LMNA | |
| SCHEMBL14067280 | 0.77 | CYP1A2 (0.62) | CYP1A2ALDH1A1CYP2C19HRH3LMNA | |
| SCHEMBL27379291 | 0.77 | CYP1A2 (0.62) | CYP1A2ALDH1A1CYP2C19HRH3LMNA | |
| SCHEMBL746674 | 0.77 | CYP1A2 (0.67) | CYP1A2ALDH1A1CYP2C19HRH3LMNA | |
| SCHEMBL18226631 | 0.76 | HRH3 (0.66) | CYP1A2ALDH1A1CYP2C19HRH3LMNA | |
| SCHEMBL2508761 | 0.76 | HRH1 (0.55) | CYP1A2ALDH1A1CYP2C19HRH3LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4147871-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1979-04-03 | — | — | US | claimed |
| CN-115485033-A | Antibacterial composition | 联合利华知识产权控股有限公司 | 2022-12-16 | — | — | CN | disclosed |
| EP-0065817-A1 | Process for producing carboxylic acids | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1982-12-01 | — | — | EP | disclosed |