Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4663 | 0.80 | CYP4F2 (0.51) | ALDH1A1CYP4F2CYP4A11KDM4EHPGD | |
| SCHEMBL9973 | 0.80 | SYK (0.38) | ALDH1A1CYP4F2CYP4A11PTPN1SMN1; SMN2 | |
| SCHEMBL9631 | 0.78 | PTGS1 (0.40) | ALDH1A1SMN1; SMN2KDM4EHPGDL3MBTL1 | |
| Hydrochloric Acid SCHEMBL27782843 | 0.78 | CYP4F2 (0.54) | ALDH1A1CYP4F2CYP4A11PTPN1SMN1; SMN2 | |
| SCHEMBL15822278 | 0.72 | ALOX5 (0.51) | ALDH1A1CYP4F2CYP4A11PTPN1SMN1; SMN2 | |
| SCHEMBL15823568 | 0.72 | ALOX5 (0.51) | ALDH1A1CYP4F2CYP4A11PTPN1SMN1; SMN2 | |
| SCHEMBL3744 | 0.71 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1MAPT | |
| SCHEMBL2772418 | 0.70 | CYP4F2 (0.68) | CYP4F2CYP4A11PTPN1 | |
| SCHEMBL9633 | 0.70 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2KDM4EHPGDL3MBTL1 | |
| SCHEMBL8903063 | 0.70 | TDP1 (0.56) | CYP4F2CYP4A11PTPN1APPSYK |
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 |