Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL5573633 | 0.87 | CHRM2 (0.60) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 | |
| SCHEMBL6742452 | 0.87 | CYP1A2 (0.60) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 | |
| SCHEMBL29466164 | 0.85 | L3MBTL1 (0.55) | ALDH1A1NPSR1ALOX15L3MBTL1KDM4E | |
| SCHEMBL8346148 | 0.85 | L3MBTL1 (0.55) | ALDH1A1NPSR1ALOX15L3MBTL1KDM4E | |
| SCHEMBL2854495 | 0.84 | KDM4E (0.59) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 | |
| SCHEMBL6832167 | 0.84 | CYP1A2 (0.55) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL3313079 | 0.84 | L3MBTL1 (0.54) | ALDH1A1NPSR1ALOX15L3MBTL1KDM4E | |
| SCHEMBL13778175 | 0.84 | ALDH1A1 (0.56) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 | |
| SCHEMBL19909336 | 0.84 | MAOA (0.57) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 | |
| SCHEMBL1392847 | 0.81 | CHRM2 (0.70) | CYP1A2ALDH1A1CYP2C19HRH3CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | disclosed |
| US-7517996-B2 | Azole compound | AJINOMOTO CO., INC. (JP) | 2009-04-14 | — | — | US | disclosed |