Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5239704 | 1.00 | NPSR1 (0.41) | NPSR1MAPK1USP2ATMKDM4E | |
| SCHEMBL5232559 | 0.91 | OPRM1 (0.37) | NPSR1USP2ATMALDH1A1OPRM1 | |
| SCHEMBL5232570 | 0.91 | OPRM1 (0.37) | NPSR1USP2ATMALDH1A1OPRM1 | |
| SCHEMBL5233912 | 0.90 | KDM4E (0.42) | NPSR1MAPK1USP2ATMKDM4E | |
| SCHEMBL5233921 | 0.90 | KDM4E (0.42) | NPSR1MAPK1USP2ATMKDM4E | |
| SCHEMBL5232225 | 0.90 | NPSR1 (0.43) | NPSR1MAPK1USP2ATMKDM4E | |
| SCHEMBL5232231 | 0.90 | NPSR1 (0.43) | NPSR1MAPK1USP2ATMKDM4E | |
| SCHEMBL5236668 | 0.88 | NPSR1 (0.44) | NPSR1MAPK1USP2ATMKDM4E | |
| SCHEMBL5236674 | 0.88 | NPSR1 (0.44) | NPSR1MAPK1USP2ATMKDM4E | |
| SCHEMBL5228332 | 0.87 | NPSR1 (0.46) | NPSR1MAPK1USP2ATMKDM4E |
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-1730116-B1 | 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORP (US) | 2007-09-05 | — | — | EP | disclosed |