Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10431155 | 1.00 | PGK1 (0.40) | PGK1KDM4EALDH1A1HTTHTR2A | |
| SCHEMBL12826420 | 0.75 | PGK1 (0.46) | PGK1KDM4EALDH1A1NQO2 | |
| SCHEMBL9512470 | 0.71 | NPC1 (0.44) | KDM4EALDH1A1HTTNFKB1BLM | |
| SCHEMBL9512816 | 0.71 | NPC1 (0.44) | KDM4EALDH1A1HTTNFKB1BLM | |
| SCHEMBL14922469 | 0.68 | NQO2 (0.46) | PGK1KDM4EALDH1A1NQO2 | |
| Ammonia Solution, Strong SCHEMBL10431156 | 0.67 | PGK1 (0.42) | PGK1KDM4EALDH1A1NQO2 | |
| SCHEMBL9370410 | 0.65 | NPC1 (0.47) | KDM4EALDH1A1HTTNFKB1 | |
| SCHEMBL2608450 | 0.63 | NQO2 (0.42) | PGK1KDM4EALDH1A1NQO2 | |
| SCHEMBL11536024 | 0.62 | NPC1 (0.57) | KDM4EALDH1A1HTT | |
| SCHEMBL8973835 | 0.61 | MAOB (0.46) | ALDH1A1NQO2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0363964-A2 | Benzotriazole derivatives and chiral derivatization reagents for carboxylic acids thereof | SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) | 1990-04-18 | — | — | EP | claimed |
| US-5003076-A | Benzotriazole derivatives and chiral derivatization reagents for carboxylic acids thereof | SHIONOGI & CO., LTD. (JP) | 1991-03-26 | — | — | US | disclosed |
| EP-0363964-A2 | Benzotriazole derivatives and chiral derivatization reagents for carboxylic acids thereof | SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) | 1990-04-18 | — | — | EP | disclosed |