Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PTGIR | P43119 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.35 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1245270 | 0.94 | KDM4E (0.44) | SCN9AKDM4ENPC1NR1H4PPARD | |
| SCHEMBL1247291 | 0.92 | SCN9A (0.41) | SCN9AKDM4ENPC1NR1H4PPARD | |
| SCHEMBL1246323 | 0.88 | PPARD (0.39) | KDM4ENR1H4PPARDCACNA1FCACNA1D | |
| SCHEMBL1245262 | 0.86 | THRB (0.37) | KDM4ENPC1CACNA1FCACNA1DCACNA1S | |
| SCHEMBL1247624 | 0.86 | THRB (0.37) | KDM4ENPC1DGAT1 | |
| SCHEMBL1245358 | 0.86 | NR1H4 (0.42) | SCN9ANR1H4PPARDMAPTPTGS2 | |
| SCHEMBL1247323 | 0.85 | NR1H4 (0.46) | NR1H4PPARDCACNA1FCACNA1DCACNA1S | |
| SCHEMBL2341053 | 0.85 | LPAR1 (0.42) | KDM4ENR1H4PTGIRTP53DGAT1 | |
| SCHEMBL1247349 | 0.85 | GPBAR1 (0.39) | KDM4ENR1H4PPARDPTGIRCACNA1F | |
| SCHEMBL1246439 | 0.85 | PPARD (0.37) | SCN9ANR1H4PPARDMAPTDGAT1 |
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-2462128-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-06-13 | — | — | EP | claimed |
| WO-2011017350-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-02-10 | — | — | WO | claimed |