Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.39 |
| ▸ | EDNRB | P24530 | 9/20 | 0.37 |
| ▸ | EDNRA | P25101 | 9/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4478 | 0.79 | HDAC1 (0.41) | HDAC3HDAC1HDAC2HDAC6NCOR2 | |
| SCHEMBL1680143 | 0.76 | MEN1 (0.35) | HDAC3HDAC1HDAC2HDAC6NCOR2 | |
| SCHEMBL4560 | 0.71 | EDNRB (0.37) | EDNRBEDNRATDP1CYP1A2CYP3A4 | |
| SCHEMBL4107 | 0.70 | EDNRB (0.36) | EDNRBEDNRATDP1CYP1A2CYP3A4 | |
| SCHEMBL7206 | 0.68 | POLB (0.37) | EDNRBEDNRATDP1CYP1A2CYP3A4 | |
| SCHEMBL6513072 | 0.66 | PTGS2 (0.56) | EDNRBEDNRATDP1CYP1A2CYP3A4 | |
| SCHEMBL1709 | 0.66 | TDP1 (0.45) | HDAC1EDNRBEDNRATDP1CYP1A2 | |
| SCHEMBL27886960 | 0.66 | EDNRB (0.45) | EDNRBEDNRATDP1CYP1A2CYP3A4 | |
| SCHEMBL1921 | 0.66 | BRD4 (0.41) | EDNRBEDNRATDP1CYP1A2CYP3A4 | |
| SCHEMBL6517910 | 0.65 | CA2 (0.54) | EDNRBEDNRATDP1CYP1A2CYP3A4 |
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-2483251-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011041462-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |