Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SCN4A | P35499 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20439368 | 1.00 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP2C19SCN4AALDH1A1 | |
| SCHEMBL20439374 | 0.82 | LMNA (0.40) | CYP1A2CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL9030419 | 0.77 | FFAR1 (0.43) | CYP1A2CYP2D6SCN4AALDH1A1LMNA | |
| SCHEMBL9030426 | 0.77 | FFAR1 (0.43) | CYP1A2CYP2D6SCN4AALDH1A1LMNA | |
| SCHEMBL20439307 | 0.77 | MAOB (0.44) | SCN4AALDH1A1FFAR1FFAR4 | |
| SCHEMBL20439308 | 0.77 | MAOB (0.44) | SCN4AALDH1A1FFAR1FFAR4 | |
| SCHEMBL20425205 | 0.76 | AOC3 (0.38) | CYP1A2CYP2D6CYP2C19ALDH1A1LMNA | |
| SCHEMBL14569807 | 0.75 | SLC2A1 (0.51) | SCN4ALMNAMAPK1 | |
| SCHEMBL26670727 | 0.75 | CYP1A2 (0.61) | CYP1A2CYP2D6CYP2C19SCN4AALDH1A1 | |
| SCHEMBL3608502 | 0.74 | FFAR1 (0.43) | FFAR1FFAR4MAPT |
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 |