Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | GPR52 | Q9Y2T5 | 3/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11401389 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP2A6TAAR1GPR52AGXT | |
| SCHEMBL1083206 | 0.81 | CYP1A2 (0.46) | CYP1A2CYP2A6TAAR1GPR52AGXT | |
| SCHEMBL692019 | 0.81 | CYP1A2 (0.46) | CYP1A2CYP2A6TAAR1GPR52AGXT | |
| SCHEMBL7434377 | 0.79 | CYP1A2 (0.59) | CYP1A2CYP2A6TAAR1AGXTIDO1 | |
| SCHEMBL11395330 | 0.79 | CYP1A2 (0.45) | CYP1A2CYP2A6TAAR1GPR52AGXT | |
| SCHEMBL11395333 | 0.79 | CYP1A2 (0.45) | CYP1A2CYP2A6TAAR1GPR52AGXT | |
| SCHEMBL11402977 | 0.79 | TAAR1 (0.50) | TAAR1GPR52AGXTIDO1HRH3 | |
| SCHEMBL11402998 | 0.79 | TAAR1 (0.50) | TAAR1GPR52AGXTIDO1HRH3 | |
| SCHEMBL11391173 | 0.79 | ALDH1A1 (0.47) | CYP2A6KCNH2HRH3ALOX15ALDH1A1 | |
| SCHEMBL11391175 | 0.79 | ALDH1A1 (0.47) | CYP2A6KCNH2HRH3ALOX15ALDH1A1 |
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-4275201-A | Aryl substituted diketones | STERLING DRUG INC. (US) | 1981-06-23 | — | — | US | disclosed |
| US-4189500-A | VIRICIDES | STERLING DRUG INC. (US) | 1980-02-19 | — | — | US | disclosed |
| US-4171378-A | INSECTICIDES, VIRICIDES | STERLING DRUG INC. (US) | 1979-10-16 | — | — | US | disclosed |