Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 2/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL448896 | 0.70 | BRD4 (0.34) | CYP2C9CYP2C19BRD4CREBBPSMN1; SMN2 | |
| SCHEMBL21176936 | 0.67 | CREBBP (0.41) | CREBBPALDH1A1TSHR | |
| SCHEMBL23081955 | 0.66 | CYP2C9 (0.39) | CYP2C9CYP2C19BRD4CREBBPHSD17B10 | |
| SCHEMBL14822580 | 0.66 | CYP2C9 (0.42) | CYP2C9CYP2C19ALDH1A1HSD17B10AKT1 | |
| SCHEMBL23190683 | 0.66 | KMT2A (0.42) | CYP2C9CYP2C19 | |
| SCHEMBL31058735 | 0.65 | HTR2A (0.36) | HTR2AHTR2CHRH1 | |
| SCHEMBL12262695 | 0.64 | MEN1 (0.38) | TSHRHTR2AHTR2CHRH1 | |
| SCHEMBL19670725 | 0.64 | NOS1 (0.37) | TSHRHTR2AHTR2CHRH1 | |
| SCHEMBL23081782 | 0.64 | — | — | |
| SCHEMBL1520438 | 0.63 | CYP2C9 (0.37) | CYP2C9CYP2C19BRD4CREBBPSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021043616-A1 | STRIGOLACTONE DERIVATIVES AS PLANT GROWTH REGULATOR COMPOUNDS | SYNGENTA CROP PROTECTION AG (CH) | 2021-03-11 | — | — | WO | disclosed |
| WO-2001090097-A2 | NOVEL COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2001-11-29 | — | — | WO | disclosed |