Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | CASP1 | P29466 | 1/20 | 0.58 |
| ▸ | CASP7 | P55210 | 1/20 | 0.58 |
| ▸ | HBB | P68871 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | NCF1 | P14598 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 2/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5746897 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| SCHEMBL1114921 | 0.96 | CYP1A2 (0.61) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| SCHEMBL31521711 | 0.96 | CYP1A2 (0.61) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| SCHEMBL1114831 | 0.96 | TDP1 (0.61) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| Hydrochloric Acid SCHEMBL1114841 | 0.94 | CYP1A2 (0.59) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| Hydrochloric Acid SCHEMBL11511742 | 0.93 | ALDH1A1 (0.62) | ALDH1A1CYP3A4TDP1HSD17B10ALOX15 | |
| SCHEMBL2249185 | 0.86 | CYP1A2 (0.71) | CYP3A4MAPK1CYP1A2CYP2A6NCF1 | |
| SCHEMBL7451812 | 0.86 | CYP1A2 (0.71) | CYP3A4MAPK1CYP1A2CYP2A6NCF1 | |
| SCHEMBL7452675 | 0.86 | CYP1A2 (0.71) | CYP3A4MAPK1CYP1A2CYP2A6NCF1 | |
| SCHEMBL6891918 | 0.86 | CYP1A2 (0.71) | CYP3A4MAPK1CYP1A2CYP2A6NCF1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20060293503-A1 | Polyaminopyridines and method for producing same | SUMITOMO SEIKA CHEMICALS CO., LTD (JP) | 2006-12-28 | — | — | US | disclosed |
| EP-1669390-A1 | POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 2006-06-14 | — | — | EP | disclosed |