Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1194018 | 0.99 | HPGDS (0.52) | HPGDSCYP3A4ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL28114539 | 0.86 | RAB9A (0.53) | HPGDSALDH1A1SMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL2317822 | 0.80 | CYP3A4 (0.54) | HPGDSCYP3A4ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL6596371 | 0.79 | HPGDS (0.53) | HPGDSCYP3A4ALDH1A1CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL1195021 | 0.78 | HPGDS (0.52) | HPGDSCYP3A4ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL27730924 | 0.76 | HPGDS (0.78) | HPGDSCYP3A4ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL7379027 | 0.76 | CYP1A2 (0.50) | HPGDSCYP3A4ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL25336331 | 0.76 | MKNK2 (0.43) | CYP3A4ALDH1A1SMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL27789789 | 0.76 | RAB9A (0.46) | HPGDSALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27514609 | 0.75 | HPGDS (0.76) | HPGDSCYP3A4ALDH1A1CYP1A2CYP2A6 |
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-1373263-B1 | HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS | TORRENT PHARMACEUTICALS LTD (IN) | 2004-10-27 | — | — | EP | claimed |