Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2946104 | 0.88 | LMNA (0.45) | MELKAPLNRHTR2AADRA1ATSHR | |
| SCHEMBL4683475 | 0.82 | TSHR (0.56) | MELKAPLNRKDM4ECYP2C9ADRA1A | |
| SCHEMBL4689656 | 0.82 | TSHR (0.56) | MELKAPLNRKDM4ECYP2C9ADRA1A | |
| SCHEMBL701717 | 0.81 | APLNR (0.47) | MELKAPLNRMAPTKDM4EGAA | |
| SCHEMBL11045547 | 0.81 | CA2 (0.57) | HTR2AALDH1A1MAPTKDM4EPOLB | |
| SCHEMBL153750 | 0.81 | APLNR (0.63) | APLNRHTR2AALDH1A1MAPTHPGD | |
| SCHEMBL29350908 | 0.81 | APLNR (0.63) | APLNRHTR2AALDH1A1MAPTHPGD | |
| SCHEMBL11132563 | 0.80 | ALDH1A1 (0.59) | HTR2AALDH1A1MAPTKDM4EPOLB | |
| Hydrochloric Acid SCHEMBL2944977 | 0.80 | MELK (0.46) | MELKAPLNRALDH1A1MAPTKDM4E | |
| SCHEMBL3639741 | 0.80 | APLNR (0.46) | MELKAPLNRHTR2AMAPTGAA |
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 |