Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | EDNRB | P24530 | 1/20 | 0.31 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14587 | 0.80 | BRD4 (0.33) | HDAC1BRD4GRIK1GRIK2 | |
| SCHEMBL13720099 | 0.80 | BRD4 (0.33) | HDAC1BRD4GRIK1GRIK2 | |
| SCHEMBL10012 | 0.71 | CYP2C9 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL27870816 | 0.71 | CYP1A2 (0.42) | HDAC1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1652 | 0.70 | CYP1A2 (0.41) | HDAC1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7129 | 0.68 | BRD4 (0.36) | HDAC1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18597812 | 0.68 | CYP1A2 (0.44) | HTTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1185 | 0.68 | CYP1A2 (0.44) | HTTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6483 | 0.67 | CYP1A2 (0.43) | HTTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1683 | 0.67 | CYP1A2 (0.43) | HTTCYP1A2CYP3A4CYP2C9CYP2C19 |
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 |