Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | EP300 | Q09472 | 3/20 | 0.49 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2171565 | 0.88 | KMT2A (0.53) | CYP2C9CYP2C19MAPK1ALDH1A1HTT | |
| SCHEMBL2170051 | 0.86 | CYP2C9 (0.51) | CYP2C9CYP2C19MAPK1ALDH1A1HTT | |
| SCHEMBL2170987 | 0.85 | CYP2C9 (0.50) | CYP2C9CYP2C19MAPK1ALDH1A1HTT | |
| SCHEMBL845206 | 0.83 | CYP2C9 (0.52) | CYP2C9CYP2C19MAPK1ALDH1A1HTT | |
| SCHEMBL2185824 | 0.81 | ALDH1A1 (0.56) | CYP2C9CYP2C19ALDH1A1KMT2APABPC1 | |
| SCHEMBL12157379 | 0.81 | TSHR (0.45) | CYP2C9CYP2C19MAPK1ALDH1A1HTT | |
| SCHEMBL2355845 | 0.81 | TSHR (0.45) | CYP2C9CYP2C19MAPK1ALDH1A1HTT | |
| SCHEMBL2185927 | 0.81 | S1PR1 (0.50) | CYP2C9CYP2C19MAPK1ALDH1A1HTT | |
| SCHEMBL2172224 | 0.81 | CYP2C9 (0.53) | CYP2C9CYP2C19MAPK1ALDH1A1HTT | |
| SCHEMBL2169966 | 0.79 | HCRTR1 (0.48) | CYP2C9CYP2C19MAPK1ALDH1A1HTT |
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 |