Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11802 | 0.82 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL6943 | 0.81 | EPHX1 (0.35) | CYP2C9 | |
| SCHEMBL2087 | 0.81 | EPHX1 (0.35) | CYP2C9 | |
| SCHEMBL7689 | 0.81 | CYP1A2 (0.31) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL1307 | 0.80 | EPHX1 (0.41) | — | |
| SCHEMBL1627 | 0.80 | EPHX1 (0.41) | — | |
| SCHEMBL6813 | 0.79 | TRPV1 (0.30) | TRPV1 | |
| SCHEMBL7387 | 0.78 | NR1I2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL7688 | 0.72 | ALDH1A1 (0.35) | CYP1A2CYP2C9TRPV1 | |
| SCHEMBL18597743 | 0.71 | ALDH1A1 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 |
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-2483252-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011041694-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |