Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 4/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5949422 | 0.90 | AR (0.52) | NOTUMARS1PR1PDE3BPDE3A | |
| SCHEMBL30742957 | 0.88 | NOTUM (0.53) | NOTUMARS1PR1PDE3BPDE3A | |
| SCHEMBL5949403 | 0.88 | NOTUM (0.53) | NOTUMARS1PR1PDE3BPDE3A | |
| SCHEMBL30742956 | 0.88 | NOTUM (0.53) | NOTUMARS1PR1PDE3BPDE3A | |
| SCHEMBL17297890 | 0.84 | AR (0.61) | NOTUMARS1PR1PDE3BPDE3A | |
| SCHEMBL5936706 | 0.84 | NOTUM (0.47) | NOTUMARS1PR1PDE3BPDE3A | |
| SCHEMBL170669 | 0.84 | CYP3A4 (0.46) | NOTUMS1PR1HTTHSD11B1KDM4E | |
| SCHEMBL4636314 | 0.82 | S1PR1 (0.60) | NOTUMARS1PR1PDE3BPDE3A | |
| SCHEMBL26375379 | 0.82 | NOTUM (0.46) | NOTUMARS1PR1PDE3BPDE3A | |
| SCHEMBL26375434 | 0.82 | KIF11 (0.48) | NOTUMARS1PR1PDE3BPDE3A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1377289-A4 | HETEROCYCLIC COMPOUNDS FOR THERAPEUTIC USE | JB CHEMICALS & PHARMACEUTICALS (IN) | 2008-09-10 | — | — | EP | disclosed |
| EP-1377289-A2 | HETEROCYCLIC COMPOUNDS FOR THERAPEUTIC USE | J.B. Chemicals & Pharmaceuticals Ltd. (IN) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002074235-A2 | HETEROCYCLIC COMPOUNDS FOR THERAPEUTIC USE | J.B. CHEMICALS & PHARMACEUTICALS LTD (IN) | 2002-09-26 | — | — | WO | disclosed |