Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 3/20 | 0.39 |
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL420 | 0.84 | CES2 (0.49) | ALDH1A1LMNACES2CES1L3MBTL1 | |
| SCHEMBL10418402 | 0.83 | AKR1C3 (0.55) | ALDH1A1LMNAL3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL9541280 | 0.83 | CES2 (0.62) | ALDH1A1LMNACES2CES1L3MBTL1 | |
| SCHEMBL508555 | 0.81 | CA1 (0.49) | ALDH1A1CES2CES1CYP1A2CYP2C19 | |
| SCHEMBL7017547 | 0.81 | TSHR (0.62) | ALDH1A1LMNACES2CES1L3MBTL1 | |
| SCHEMBL28302838 | 0.81 | L3MBTL1 (0.46) | ALDH1A1LMNAL3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL283 | 0.80 | SLC6A3 (0.48) | ALDH1A1CES2CES1MEN1KMT2A | |
| SCHEMBL109178 | 0.78 | TSHR (0.50) | ALDH1A1LMNAL3MBTL1CYP3A4MEN1 | |
| SCHEMBL30111657 | 0.78 | TSHR (0.50) | ALDH1A1LMNAL3MBTL1CYP3A4MEN1 | |
| SCHEMBL1851002 | 0.77 | CA12 (0.56) | CES2CES1CYP1A2CYP2C19ELANE |
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-0400835-A1 | Substituted benzimidazoles as angiotensin II antagonists | MERCK & CO. INC. (US) | 1990-12-05 | — | — | EP | disclosed |