Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.34 |
| ▸ | HTR3B | O95264 | 3/20 | 0.34 |
| ▸ | HTR3A | P46098 | 3/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28202141 | 0.86 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CA1CA2CA9 | |
| SCHEMBL23422710 | 0.78 | HTR3E (0.40) | ALDH1A1CYP3A4GAAHTR3EHTR3B | |
| SCHEMBL14648359 | 0.74 | MAPK1 (0.32) | TDP1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL24594962 | 0.74 | GRIN2D (0.34) | ALDH1A1TDP1HTR3EHTR3BHTR3A | |
| SCHEMBL17366351 | 0.69 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TDP1MAPK1 | |
| SCHEMBL1275292 | 0.69 | TSHR (0.41) | ALDH1A1CYP3A4GAAHTR3EHTR3B | |
| SCHEMBL13261755 | 0.69 | CYP3A4 (0.33) | ALDH1A1CYP3A4TDP1L3MBTL1GAA | |
| SCHEMBL12881195 | 0.69 | ALDH1A1 (0.33) | ALDH1A1CYP3A4TDP1L3MBTL1GAA | |
| SCHEMBL14256849 | 0.69 | TSHR (0.50) | ALDH1A1CYP3A4HTR3EHTR3BHTR3A | |
| SCHEMBL11295534 | 0.69 | TSHR (0.50) | ALDH1A1CYP3A4CA1CA2CA9 |
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-1678259-B1 | DISPERSE AZO DYESTUFFS | DYSTAR COLOURS DISTRIB GMBH (DE) | 2016-08-17 | — | — | EP | disclosed |