Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28865452 | 0.75 | GAA (0.56) | CA1CA2GAAMAPTALDH1A1 | |
| SCHEMBL3433075 | 0.71 | CA2 (0.67) | CA1CA2VNN1MAPTALDH1A1 | |
| SCHEMBL507820 | 0.70 | ALDH1A1 (0.67) | CA1CA2MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL5088981 | 0.69 | CYP11B1 (0.50) | CA1CA2GAAALDH1A1MAPK14 | |
| SCHEMBL17338820 | 0.69 | LTA4H (0.57) | CA1CA2GAAVNN1SMN1; SMN2 | |
| SCHEMBL7452690 | 0.68 | ALDH1A1 (0.46) | GAAMAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL10750205 | 0.68 | GSK3B (0.41) | CA1CA2GAAMAPTALDH1A1 | |
| SCHEMBL1387743 | 0.67 | SIRT3 (0.37) | SMN1; SMN2 | |
| SCHEMBL12843975 | 0.66 | CYP11B1 (0.48) | CA1CA2MAPTALDH1A1HPGD | |
| SCHEMBL7443656 | 0.66 | GSK3B (0.43) | CA1CA2MAPTALDH1A1NPC1 |
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 |