Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7710746 | 0.93 | CA2 (0.34) | EPHX2NR1H4 | |
| SCHEMBL7711363 | 0.91 | EPHX2 (0.30) | EPHX2 | |
| SCHEMBL7708186 | 0.90 | — | — | |
| SCHEMBL7704963 | 0.88 | CYP3A4 (0.34) | — | |
| SCHEMBL7708351 | 0.88 | — | — | |
| SCHEMBL7704909 | 0.88 | MMP8 (0.31) | — | |
| SCHEMBL7704944 | 0.87 | ALDH1A1 (0.32) | EPHX2NR1H4 | |
| SCHEMBL7708348 | 0.87 | NR1D1 (0.35) | — | |
| SCHEMBL7711326 | 0.86 | GAA (0.30) | — | |
| SCHEMBL7711304 | 0.84 | CYP3A4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |