Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | AR | P10275 | 12/20 | 0.53 |
| ▸ | VDR | P11473 | 9/20 | 0.53 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4685164 | 1.00 | KDM4E (0.55) | KDM4ECYP1A2ARVDRAGTR1 | |
| SCHEMBL9448494 | 1.00 | KDM4E (0.55) | KDM4ECYP1A2ARVDRAGTR1 | |
| SCHEMBL6087272 | 0.89 | CYP1A2 (0.55) | KDM4ECYP1A2ARVDRAGTR1 | |
| SCHEMBL6087260 | 0.86 | CYP1A2 (0.59) | KDM4ECYP1A2AGTR1 | |
| SCHEMBL6087221 | 0.84 | MAPK1 (0.65) | KDM4ECYP1A2AGTR1 | |
| SCHEMBL4688976 | 0.83 | CYP1A2 (0.44) | KDM4ECYP1A2VDRAGTR1 | |
| SCHEMBL4688980 | 0.83 | CYP1A2 (0.44) | KDM4ECYP1A2VDRAGTR1 | |
| SCHEMBL9484082 | 0.83 | ADRB1 (0.60) | KDM4ECYP1A2 | |
| SCHEMBL4684045 | 0.81 | S1PR1 (0.46) | KDM4ECYP1A2AGTR1 | |
| SCHEMBL4684041 | 0.81 | S1PR1 (0.46) | KDM4ECYP1A2AGTR1 |
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 |