Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.47 |
| ▸ | MELK | Q14680 | 1/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4685287 | 0.92 | APP (0.46) | HTR2ASLC6A4MELKAPLNRSLC6A2 | |
| Hydrochloric Acid SCHEMBL2942530 | 0.90 | SLC6A4 (0.45) | HTR2ASLC6A4MELKAPLNRSLC6A2 | |
| SCHEMBL2947904 | 0.86 | MELK (0.44) | SLC6A4MELKAPLNRSLC6A2SLC6A3 | |
| SCHEMBL4687675 | 0.85 | TUBB4A (0.47) | MELKAPLNRMAPTADRA1ATAAR1 | |
| SCHEMBL2949258 | 0.84 | MELK (0.44) | SLC6A4MELKAPLNRSLC6A2SLC6A3 | |
| SCHEMBL4684291 | 0.83 | PNLIP (0.42) | MELKAPLNR | |
| SCHEMBL22498547 | 0.83 | CA2 (0.55) | HTR2ASLC6A4SLC6A2SLC6A3MAPT | |
| SCHEMBL701717 | 0.81 | APLNR (0.47) | MELKAPLNRMAPTMEN1KMT2A | |
| SCHEMBL17593842 | 0.81 | DHFR (0.50) | TSHR | |
| SCHEMBL29350908 | 0.81 | APLNR (0.63) | HTR2AAPLNRMAPTMEN1ALDH1A1 |
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-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 |