Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B10 | O60218 | 8/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 8/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MET | P08581 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8417663 | 1.00 | AKR1B10 (0.58) | AKR1B10AKR1B1ALOX5ESR1ALDH1A1 | |
| SCHEMBL15960946 | 0.85 | ESR1 (0.62) | AKR1B10AKR1B1ESR1ALDH1A1MAPT | |
| SCHEMBL9820613 | 0.84 | APP (0.57) | AKR1B10AKR1B1ESR1CA12CA1 | |
| SCHEMBL18993841 | 0.83 | AKR1B10 (0.49) | AKR1B10AKR1B1ALOX5ESR1ALDH1A1 | |
| SCHEMBL9820607 | 0.77 | TYR (0.53) | AKR1B10AKR1B1ESR1ALDH1A1MAPT | |
| SCHEMBL20888287 | 0.77 | AKR1B10 (0.71) | AKR1B10AKR1B1ALOX5ESR1ALDH1A1 | |
| SCHEMBL8417664 | 0.76 | ALDH1A1 (0.49) | AKR1B10AKR1B1ESR1ALDH1A1MAPT | |
| SCHEMBL10021706 | 0.75 | CAPN1 (0.50) | ALDH1A1MAPTMEN1CYP1A2CYP2C9 | |
| SCHEMBL8148901 | 0.75 | ESR1 (0.45) | AKR1B10AKR1B1ALOX5ESR1ALDH1A1 | |
| SCHEMBL8420014 | 0.75 | AKR1B10 (0.47) | AKR1B10AKR1B1ALOX5METCA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5919793-A | QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS | ZENECA LIMITED (GB) | 1999-07-06 | — | — | US | disclosed |
| EP-0696284-A1 | HETEROCYCLIC DERIVATIVES | ZENECA LIMITED (GB) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994025459-A1 | HETEROCYCLIC DERIVATIVES | ZENECA LIMITED (GB) | 1994-11-10 | — | — | WO | disclosed |