Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 4/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MASP2 | O00187 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KLK1 | P06870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7449027 | 0.97 | ALDH1A1 (0.36) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL7452110 | 0.97 | NPC1 (0.36) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL7447386 | 0.93 | NR1I2 (0.35) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL7449378 | 0.92 | ALDH1A1 (0.37) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL5555934 | 0.91 | F2 (0.46) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL7453707 | 0.91 | F2 (0.46) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL7454205 | 0.90 | ALOX15 (0.33) | F2NR1I2ADORA3SLC6A2AGTR1 | |
| SCHEMBL7445819 | 0.89 | NPC1 (0.35) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL7452514 | 0.89 | F2 (0.42) | ALDH1A1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL7445500 | 0.89 | F2 (0.42) | 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 |