Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 2/20 | 0.33 |
| ▸ | EDNRA | P25101 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2110 | 0.89 | TDP1 (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL18746108 | 0.87 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL7129 | 0.87 | BRD4 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL2323 | 0.81 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL1785 | 0.81 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL2369 | 0.80 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL6880 | 0.79 | BRD4 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL6879 | 0.79 | BRD4 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL6971 | 0.78 | LPAR1 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL6972 | 0.78 | LPAR1 (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 4 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 |
| EP-2483253-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 |
| WO-2011041729-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |