Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4397357 | 0.77 | HRH1 (0.64) | CYP1A2ALDH1A1CYP2C19HRH1CHRM2 | |
| SCHEMBL8458989 | 0.77 | HRH1 (0.66) | CYP1A2ALDH1A1CYP2C19HRH1CHRM2 | |
| SCHEMBL11233642 | 0.75 | CYP1A2 (0.49) | CYP1A2ALDH1A1CYP2C19HRH1CHRM2 | |
| SCHEMBL1921574 | 0.72 | HRH3 (0.70) | CYP1A2ALDH1A1CYP2C19HRH1CHRM2 | |
| SCHEMBL6890029 | 0.72 | CHRM2 (0.57) | CYP1A2ALDH1A1CYP2C19HRH1CHRM2 | |
| SCHEMBL23053146 | 0.71 | CYP1A2 (0.69) | CYP1A2ALDH1A1CYP2C19HRH1CHRM2 | |
| SCHEMBL11236612 | 0.70 | TDP1 (0.48) | CYP1A2CYP2C19LMNAALOX15TDP1 | |
| SCHEMBL5707525 | 0.69 | CYP1A2 (0.61) | CYP1A2ALDH1A1CYP2C19HRH1CHRM2 | |
| SCHEMBL13699035 | 0.68 | ALDH1A1 (0.73) | CYP1A2ALDH1A1CYP2C19HRH1CHRM2 | |
| SCHEMBL5707496 | 0.68 | SIGMAR1 (0.65) | CYP1A2ALDH1A1CYP2C19CHRM2HRH3 |
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-4326054-A | ANTIBIOTIC AND ANTITUMOR AGENT | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1982-04-20 | — | — | US | disclosed |