Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 12/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 10/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4684041 | 1.00 | S1PR1 (0.46) | S1PR1S1PR3CYP1A2KDM4ETSHR | |
| SCHEMBL4688491 | 0.86 | TSHR (0.42) | S1PR1S1PR3TSHRLMNA | |
| SCHEMBL4685164 | 0.81 | KDM4E (0.55) | CYP1A2KDM4EAGTR1 | |
| SCHEMBL9448494 | 0.81 | KDM4E (0.55) | CYP1A2KDM4EAGTR1 | |
| SCHEMBL4685166 | 0.81 | KDM4E (0.55) | CYP1A2KDM4EAGTR1 | |
| SCHEMBL3072540 | 0.80 | GLA (0.59) | S1PR1S1PR3CYP1A2KDM4ETSHR | |
| SCHEMBL6087272 | 0.78 | CYP1A2 (0.55) | CYP1A2KDM4EAGTR1LMNA | |
| SCHEMBL4684050 | 0.78 | TSHR (0.47) | S1PR1S1PR3CYP1A2KDM4ETSHR | |
| SCHEMBL4688972 | 0.78 | TSHR (0.47) | S1PR1S1PR3CYP1A2KDM4ETSHR | |
| SCHEMBL27986956 | 0.77 | S1PR1 (0.43) | S1PR1S1PR3CYP1A2KDM4ETSHR |
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 |