Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8908376 | 0.76 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDPPARAPPARG | |
| SCHEMBL16150885 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDPPARAPPARG | |
| SCHEMBL16863704 | 0.74 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDPPARAPPARG | |
| SCHEMBL2845228 | 0.72 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDPPARAPPARG | |
| SCHEMBL6214835 | 0.70 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDPPARAPPARG | |
| SCHEMBL1053945 | 0.69 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDPPARAPPARG | |
| SCHEMBL16625547 | 0.69 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDPPARAPPARG | |
| SCHEMBL29058150 | 0.69 | GABRA1 (0.50) | ALDH1A1KDM4EHPGDPPARAPPARG | |
| SCHEMBL2051289 | 0.69 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDPPARAPPARG | |
| SCHEMBL8375402 | 0.68 | CA5A (0.42) | ALDH1A1TSHRTDP1L3MBTL1GAA |
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-1042297-A1 | CARBOXYL ACID SUBSTITUTED HETEROCYCLES AS METALLOPROTEINASE INHIBITORS | Amgen Inc. (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999032452-A1 | CARBOXYL ACID SUBSTITUTED HETEROCYCLES AS METALLOPROTEINASE INHIBITORS | AMGEN INC. (US) | 1999-07-01 | — | — | WO | disclosed |