Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 5/20 | 0.55 |
| ▸ | THRA | P10827 | 4/20 | 0.54 |
| ▸ | THRB | P10828 | 4/20 | 0.54 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.43 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | PRKCG | P05129 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24306004 | 0.83 | S1PR1 (0.56) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL13664791 | 0.83 | S1PR1 (0.56) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL18763447 | 0.83 | S1PR1 (0.38) | S1PR1THRATHRBS1PR4CTSS | |
| SCHEMBL17208962 | 0.82 | S1PR1 (0.58) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL2950931 | 0.82 | S1PR1 (0.55) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL13665315 | 0.82 | S1PR1 (0.58) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL12337602 | 0.81 | S1PR1 (0.71) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL2851439 | 0.80 | SMPD1 (0.46) | S1PR1THRATHRBESR1CHUK | |
| SCHEMBL3423050 | 0.80 | S1PR1 (0.56) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL9427780 | 0.80 | THRA (0.51) | S1PR1THRATHRBS1PR4S1PR5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009119858-A1 | BENZENE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES | 田辺三菱製薬株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |