Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27436177 | 0.83 | PPARA (0.39) | AKR1C3AKR1C2NR1H2NR1H3PTPN1 | |
| SCHEMBL8419852 | 0.80 | PPARA (0.40) | TDP1PPARAALDH1A1KDM4EPPARD | |
| SCHEMBL8419978 | 0.79 | PPARA (0.42) | PPARAALDH1A1LMNAKDM4EPPARD | |
| SCHEMBL8421859 | 0.79 | PPARA (0.41) | PPARAALDH1A1LMNAHPGDKDM4E | |
| SCHEMBL8417745 | 0.78 | KDM4E (0.41) | AKR1C3AKR1C2ALDH1A1LMNAKDM4E | |
| SCHEMBL8968442 | 0.77 | PPARA (0.37) | PPARAALDH1A1KDM4EPPARD | |
| SCHEMBL8419729 | 0.76 | PPARA (0.39) | AKR1C3AKR1C2TDP1PPARAALDH1A1 | |
| SCHEMBL8418566 | 0.76 | FDFT1 (0.45) | AKR1C3AKR1C2PPARAALDH1A1LMNA | |
| SCHEMBL8419726 | 0.75 | AKR1C3 (0.37) | AKR1C3AKR1C2TDP1PPARAALDH1A1 | |
| SCHEMBL8419836 | 0.74 | ALOX5 (0.41) | AKR1C3AKR1C2TDP1PPARAALDH1A1 |
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 4 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 |
| CN-1121718-A | Heterocyclic derivatives | ZENECA LTD (GB) | 1996-05-01 | — | — | CN | 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 |