Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4687532 | 0.92 | MAPK1 (0.48) | MAPK1THRATHRBKCNH2SLC6A2 | |
| SCHEMBL25199161 | 0.87 | TOP2A (0.51) | MAPK1THRATHRBKCNH2SLC6A2 | |
| SCHEMBL12492815 | 0.85 | MRGPRX4 (0.50) | THRATHRBKDM4EPOLB | |
| SCHEMBL4025985 | 0.84 | MAPK1 (0.65) | MAPK1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL26827950 | 0.84 | THRA (0.51) | THRATHRBKCNH2TAS1R3TAS1R1 | |
| SCHEMBL25211177 | 0.83 | MAPK1 (0.51) | MAPK1THRATHRBKCNH2SLC6A2 | |
| SCHEMBL12492829 | 0.83 | ALDH1A1 (0.55) | THRATHRBTAS1R3TAS1R1S1PR3 | |
| SCHEMBL12970778 | 0.83 | MAPK1 (0.72) | MAPK1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4687860 | 0.81 | MRGPRX4 (0.46) | MAPK1THRATHRBKCNH2SLC6A2 | |
| SCHEMBL6305137 | 0.81 | MAPK1 (0.45) | MAPK1THRATHRBKCNH2HTT |
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-1805163-B1 | 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA[A]PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-10-01 | — | — | EP | claimed |
| WO-2016053855-A1 | SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-04-07 | — | — | WO | disclosed |