Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.44 |
| ▸ | CPT1A | P50416 | 5/20 | 0.43 |
| ▸ | CPT2 | P23786 | 4/20 | 0.43 |
| ▸ | CPT1B | Q92523 | 2/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.37 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23084622 | 0.83 | S1PR1 (0.44) | S1PR1CDC7CCNE1CDK2DBF4 | |
| SCHEMBL29771163 | 0.83 | S1PR1 (0.44) | S1PR1CDC7CCNE1CDK2DBF4 | |
| SCHEMBL30355471 | 0.76 | S1PR1 (0.52) | S1PR1CPT1A | |
| SCHEMBL23524322 | 0.76 | S1PR1 (0.52) | S1PR1CPT1A | |
| SCHEMBL23524125 | 0.75 | S1PR1 (0.40) | S1PR1 | |
| SCHEMBL23524098 | 0.70 | S1PR1 (0.44) | S1PR1 | |
| SCHEMBL23524349 | 0.70 | S1PR1 (0.44) | S1PR1CDC7CCNE1CDK2DBF4 | |
| SCHEMBL30355761 | 0.70 | S1PR1 (0.44) | S1PR1 | |
| SCHEMBL29673320 | 0.69 | S1PR1 (0.36) | S1PR1 | |
| SCHEMBL23523860 | 0.68 | S1PR1 (0.46) | S1PR1PGR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3638235-A1 | COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME | Trevena, Inc. (US) | 2020-04-22 | — | — | EP | disclosed |
| WO-2018231745-A1 | COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME | TREVENA, INC. (US) | 2018-12-20 | — | — | WO | disclosed |