Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 7/20 | 0.70 |
| ▸ | ESR1 | P03372 | 5/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.70 |
| ▸ | HSD17B1 | P14061 | 6/20 | 0.53 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1181642 | 0.83 | APP (1.00) | APPESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL12973258 | 0.82 | APP (1.00) | APPESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL9912044 | 0.81 | APP (0.76) | APPESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL4778599 | 0.80 | APP (0.94) | APPESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL15380796 | 0.80 | APP (0.94) | APPESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL6068101 | 0.80 | HSD17B1 (0.47) | APPESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL9428408 | 0.77 | IKBKB (0.53) | APPESR1ESR2CYP2E1CYP3A4 | |
| SCHEMBL22834330 | 0.77 | APP (0.50) | APPESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL9429302 | 0.77 | APP (0.50) | APPESR1ESR2HSD17B1HSD17B2 | |
| SCHEMBL5439237 | 0.76 | CYP3A4 (0.61) | APPHSD17B1HSD17B2CYP2E1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1495015-A1 | 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS | Wella Aktiengesellschaft (DE) | 2005-01-12 | — | — | EP | claimed |
| WO-2003087084-A1 | 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS | WELLA AKTIENGESELLSCHAFT (DE) | 2003-10-23 | — | — | WO | claimed |