Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 12/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 10/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SCN4A | P35499 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL4684050 | 1.00 | TSHR (0.47) | TSHRKDM4ECYP1A2S1PR1S1PR3 | |
| SCHEMBL4688494 | 0.85 | SCN4A (0.42) | TSHRCYP1A2S1PR1S1PR3GLA | |
| SCHEMBL3072540 | 0.82 | GLA (0.59) | TSHRKDM4ECYP1A2S1PR1S1PR3 | |
| SCHEMBL4686037 | 0.80 | KDM4E (0.58) | KDM4ECYP1A2 | |
| SCHEMBL4685167 | 0.80 | KDM4E (0.58) | KDM4ECYP1A2 | |
| SCHEMBL27986479 | 0.78 | S1PR1 (0.61) | KDM4ECYP1A2S1PR1S1PR3GLA | |
| SCHEMBL27986481 | 0.78 | S1PR1 (0.53) | TSHRKDM4ECYP1A2S1PR1S1PR3 | |
| SCHEMBL4684045 | 0.78 | S1PR1 (0.46) | TSHRKDM4ECYP1A2S1PR1S1PR3 | |
| SCHEMBL4684041 | 0.78 | S1PR1 (0.46) | TSHRKDM4ECYP1A2S1PR1S1PR3 | |
| SCHEMBL4550829 | 0.77 | SCN4A (0.45) | TSHRCYP1A2S1PR1GLAMAPT |
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 |