Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.42 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.42 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.42 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7002 | 0.84 | AKR1C3 (0.48) | AKR1C3TSHRFAAHPLAAT3PLAAT5 | |
| SCHEMBL1475 | 0.83 | L3MBTL1 (0.45) | AKR1C3POLBTSHRTDP1 | |
| SCHEMBL6602 | 0.83 | CYP2C9 (0.49) | P2RX7AKR1C3CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7158 | 0.82 | TSHR (0.58) | AKR1C3TSHRFAAHTAAR1 | |
| SCHEMBL1347 | 0.81 | KMT2A (0.43) | AKR1C3POLBTSHRTAAR1 | |
| SCHEMBL6650 | 0.79 | KCNA3 (0.43) | AKR1C3CYP2C9TSHRTDP1 | |
| SCHEMBL3829 | 0.79 | P2RX7 (0.42) | P2RX7CYP1A2CYP2C9CYP2C19TDP1 | |
| SCHEMBL6377 | 0.79 | CNR1 (0.42) | AKR1C3POLBCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1279 | 0.78 | CYP1A2 (0.43) | P2RX7POLBCTDSP1CYP1A2CYP2C9 | |
| SCHEMBL7105 | 0.78 | ALDH1A1 (0.53) | CYP2D6CYP2C9CYP2C19 |
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 |