Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 3/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 6/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | MCHR2 | Q969V1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL680099 | 0.75 | RXRA (0.49) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL20439364 | 0.74 | MAOB (0.42) | KCNH2NPC1ALDH1A1HPGDNFKB1 | |
| SCHEMBL20439440 | 0.73 | CYP4F2 (0.40) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL5357173 | 0.73 | MAOB (0.51) | KCNH2MMP13NPC1ALDH1A1HPGD | |
| SCHEMBL5357169 | 0.73 | MAOB (0.51) | KCNH2MMP13NPC1ALDH1A1HPGD | |
| SCHEMBL20439439 | 0.72 | CYP4F2 (0.41) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL1366880 | 0.72 | CYP4F2 (0.51) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL30707091 | 0.71 | RXRA (0.54) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL20398080 | 0.71 | RXRA (0.59) | CYP4F2CYP4A11RXRARXRBRXRG | |
| SCHEMBL25417935 | 0.71 | RXRA (0.46) | CYP4F2CYP4A11RXRARXRBRXRG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018138739-A1 | NOVEL ANTIESTROGENIC HETEROCYCLIC COMPOUNDS | SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) | 2018-08-02 | — | — | WO | disclosed |