Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 5/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 2/20 | 0.32 |
| ▸ | EDNRA | P25101 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL1223 | 0.85 | MEN1 (0.39) | TRPV1ALDH1A1SMN1; SMN2HPGDMAPT | |
| Butanone SCHEMBL11122 | 0.77 | CACNA1F (0.40) | TRPV1ALDH1A1SMN1; SMN2MAPTRAB9A | |
| SCHEMBL14789798 | 0.71 | RAB9A (0.40) | ALDH1A1SMN1; SMN2HPGDMAPTRAB9A | |
| SCHEMBL13388 | 0.70 | BRD4 (0.53) | ALDH1A1SMN1; SMN2MAPTRAB9ABRD4 | |
| SCHEMBL13959362 | 0.70 | PTGS2 (0.42) | ALDH1A1SMN1; SMN2RAB9ABRD4NPC1 | |
| SCHEMBL25402932 | 0.69 | TDP1 (0.39) | TRPV1ALDH1A1SMN1; SMN2HPGDMAPT | |
| SCHEMBL1754692 | 0.69 | BRD4 (0.56) | ALDH1A1SMN1; SMN2HPGDMAPTBRD4 | |
| SCHEMBL27886960 | 0.69 | EDNRB (0.45) | TRPV1ALDH1A1MAPTRAB9ANPC1 | |
| SCHEMBL13960104 | 0.69 | BRD4 (0.34) | ALDH1A1SMN1; SMN2HPGDMAPTRAB9A | |
| SCHEMBL13959385 | 0.68 | MAPK14 (0.40) | ALDH1A1SMN1; SMN2MAPTRAB9ABRD4 |
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 |