Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 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 | |
|---|---|---|---|---|
| SCHEMBL7444335 | 0.89 | MAPT (0.41) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL7444749 | 0.88 | NQO2 (0.47) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL7448239 | 0.85 | POLB (0.33) | ALDH1A1MAPTNQO2POLBMEN1 | |
| SCHEMBL9901721 | 0.84 | NQO2 (0.46) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL7444535 | 0.82 | ALDH1A1 (0.40) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| Acetic Acid SCHEMBL17065511 | 0.82 | NQO2 (0.45) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL7444759 | 0.81 | KLK1 (0.44) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| Hydrochloric Acid SCHEMBL7454281 | 0.81 | KLK1 (0.44) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL7452770 | 0.81 | HCRTR1 (0.34) | ALDH1A1MAPTMAPK1NQO2CHEK1 | |
| Hydrochloric Acid SCHEMBL7447095 | 0.81 | NQO2 (0.54) | ALDH1A1NPC1LMNAMAPTMAPK1 |
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-0966454-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS | Boehringer Ingelheim Pharma KG (DE) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998037075-A1 | DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1998-08-27 | — | — | WO | disclosed |