Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | VDR | P11473 | 11/20 | 0.53 |
| ▸ | AR | P10275 | 11/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4686037 | 1.00 | KDM4E (0.58) | KDM4ECYP1A2VDRAR | |
| SCHEMBL4689675 | 0.82 | CSNK2A1 (0.55) | KDM4ECYP1A2 | |
| SCHEMBL4688982 | 0.82 | CSNK2A1 (0.55) | KDM4ECYP1A2 | |
| SCHEMBL4684050 | 0.80 | TSHR (0.47) | KDM4ECYP1A2 | |
| SCHEMBL4550407 | 0.80 | CSNK2A1 (0.41) | — | |
| SCHEMBL4688972 | 0.80 | TSHR (0.47) | KDM4ECYP1A2 | |
| SCHEMBL11453609 | 0.78 | KDM4E (0.61) | KDM4ECYP1A2VDRAR | |
| Hydrochloric Acid SCHEMBL2716625 | 0.78 | CSNK2A1 (0.43) | — | |
| SCHEMBL4684236 | 0.78 | CSNK2A1 (0.49) | KDM4E | |
| SCHEMBL5012376 | 0.77 | VDR (0.69) | KDM4ECYP1A2VDRAR |
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 |