Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXTR | P30559 | 2/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | COMT | P21964 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28474180 | 0.77 | KMT2A (0.42) | HTTKMT2ASMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL28470752 | 0.76 | L3MBTL1 (0.37) | RAB9AHTTKMT2ASMN1; SMN2L3MBTL1 | |
| SCHEMBL27535251 | 0.76 | KMT2A (0.41) | OXTRAVPR1ARAB9ACOMTKMT2A | |
| SCHEMBL1012091 | 0.73 | — | — | |
| SCHEMBL1357600 | 0.73 | — | — | |
| SCHEMBL28960954 | 0.72 | — | — | |
| SCHEMBL28891654 | 0.71 | PTGS2 (0.36) | OXTRAVPR1ACYP1A2PDE10A | |
| SCHEMBL23158215 | 0.70 | — | — | |
| SCHEMBL1012093 | 0.69 | — | — | |
| SCHEMBL8144794 | 0.68 | RAB9A (0.42) | OXTRAVPR1ARAB9ACOMTHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-111808024-B | Phenyl pyrazolone compound or salt thereof, preparation method and application | 郑州手性药物研究院有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-111808024-A | Phenylpyrazolone compound or salt thereof, preparation method and application | 郑州手性药物研究院有限公司 | 2020-10-23 | — | — | CN | disclosed |