Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | VHL | P40337 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12157379 | 1.00 | TSHR (0.45) | TSHRVHLS1PR1NPSR1CYP2C9 | |
| SCHEMBL845390 | 0.85 | VHL (0.48) | TSHRVHLNPSR1CYP2C9CYP2C19 | |
| SCHEMBL21696951 | 0.83 | ALDH1A1 (0.56) | VHLCYP2C9CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL844966 | 0.82 | VHL (0.44) | TSHRVHLNPSR1CYP2C9CYP2C19 | |
| SCHEMBL13272504 | 0.82 | VHL (0.44) | TSHRVHLNPSR1CYP2C9CYP2C19 | |
| SCHEMBL2185927 | 0.82 | S1PR1 (0.50) | TSHRS1PR1NPSR1CYP2C9CYP2C19 | |
| SCHEMBL1372641 | 0.81 | S1PR1 (0.66) | VHLS1PR1CYP2C9KMT2AMEN1 | |
| SCHEMBL2172070 | 0.81 | CYP2C9 (0.54) | TSHRNPSR1CYP2C9CYP2C19KMT2A | |
| SCHEMBL844965 | 0.81 | VHL (0.44) | TSHRVHLCYP2C9CYP2C19KMT2A | |
| SCHEMBL845253 | 0.80 | VHL (0.43) | TSHRVHLNPSR1CYP2C9CYP2C19 |
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-2349252-A2 | SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |