Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | PAM | P19021 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 7/20 | 0.33 |
| ▸ | PPARA | Q07869 | 7/20 | 0.33 |
| ▸ | PPARD | Q03181 | 6/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TLR2 | O60603 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | FABP4 | P15090 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6929076 | 0.80 | TDP1 (0.36) | AKR1B1PAMPPARGPPARAPPARD | |
| SCHEMBL25425473 | 0.78 | AKR1B1 (0.34) | AKR1B1PAMPPARGPPARAPPARD | |
| SCHEMBL30441966 | 0.77 | CES2 (0.42) | CES2PPARGPPARAPPARDHDAC11 | |
| SCHEMBL29563460 | 0.77 | CES2 (0.42) | CES2PPARGPPARAPPARDHDAC11 | |
| SCHEMBL3683450 | 0.74 | TSHR (0.42) | CES2PPARGPPARAPPARDHDAC11 | |
| SCHEMBL28601399 | 0.74 | MEN1 (0.40) | CES2PPARGPPARAPPARDHDAC11 | |
| SCHEMBL27614309 | 0.74 | ATM (0.39) | PAMTSHRALDH1A1 | |
| SCHEMBL27689322 | 0.74 | LMNA (0.36) | AKR1B1PAMGPR84TDP1KMT2A | |
| SCHEMBL28279514 | 0.74 | NAAA (0.42) | CES2TSHRTDP1MEN1KMT2A | |
| SCHEMBL107416 | 0.72 | TSHR (0.41) | CES2PPARGPPARAPPARDHDAC11 |
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-0487270-A2 | HIV protease inhibitors having polyether substituents | MERCK & CO. INC. (US) | 1992-05-27 | — | — | EP | disclosed |