Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.51 |
| ▸ | PREP | P48147 | 1/20 | 0.49 |
| ▸ | FAP | Q12884 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | EP300 | Q09472 | 1/20 | 0.48 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2170051 | 0.86 | CYP2C9 (0.51) | CYP2C9CYP2C19ALDH1A1MAPK1HTT | |
| SCHEMBL2171565 | 0.83 | KMT2A (0.53) | CYP2C9CYP2C19ALDH1A1MAPK1HTT | |
| SCHEMBL1375038 | 0.82 | S1PR1 (0.68) | CYP2C9KMT2ARAB9ATDP1S1PR1 | |
| SCHEMBL2172070 | 0.81 | CYP2C9 (0.54) | CYP2C9CYP2C19ALDH1A1MAPK1HTT | |
| SCHEMBL2170987 | 0.79 | CYP2C9 (0.50) | CYP2C9CYP2C19ALDH1A1MAPK1HTT | |
| SCHEMBL4978089 | 0.77 | ALDH1A1 (0.67) | CYP2C9CYP2C19ALDH1A1MAPK1HTT | |
| SCHEMBL11158699 | 0.77 | KMT2A (0.55) | HTTPREPFAPTHRBALOX12 | |
| SCHEMBL2185824 | 0.77 | ALDH1A1 (0.56) | CYP2C9CYP2C19ALDH1A1PABPC1KDM4E | |
| SCHEMBL31324103 | 0.77 | DPP4 (0.56) | HTTPREPFAP | |
| SCHEMBL11153893 | 0.76 | PREP (0.67) | ALDH1A1PREPFAP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |