Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | USP7 | Q93009 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.40 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.40 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.40 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19682268 | 0.93 | APP (0.41) | APPESR2ESR1CYP1A1CYP1A2 | |
| SCHEMBL19798758 | 0.87 | RARA (0.39) | APPESR2ESR1USP7CYP3A4 | |
| SCHEMBL20806065 | 0.86 | CYP1A1 (0.41) | APPESR2ESR1CYP1A1CYP1A2 | |
| SCHEMBL21134114 | 0.82 | CYP11B1 (0.45) | APPESR2CYP1A1CYP3A4CYP2C19 | |
| SCHEMBL16265325 | 0.80 | RARB (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22239082 | 0.79 | L3MBTL1 (0.34) | APPCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25070536 | 0.79 | AAK1 (0.37) | CYP3A4CYP2C9CYP2C19KDM4EPOLB | |
| SCHEMBL25070289 | 0.79 | HSD17B1 (0.47) | CYP1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22238937 | 0.79 | CYP2C19 (0.41) | APPCYP1A1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL21537527 | 0.79 | APP (0.39) | APPCYP1A1CYP1A2CYP2E1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3487955-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-05-20 | — | — | EP | disclosed |