Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CYP46A1 | Q9Y6A2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7112634 | 0.85 | KDM4E (0.53) | KDM4EHRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL10835648 | 0.82 | KDM4E (0.50) | KDM4EHRH3CYP2D6LMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL4777694 | 0.78 | KDM4E (0.56) | KDM4EHRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL342910 | 0.78 | KDM4E (0.59) | KDM4EHRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL10486922 | 0.78 | KDM4E (0.45) | KDM4EHRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL2200687 | 0.77 | KDM4E (0.51) | KDM4EHRH3CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL7934334 | 0.77 | KDM4E (0.45) | KDM4EHRH3LMNAALDH1A1HTT | |
| Hydrochloric Acid SCHEMBL11553058 | 0.76 | KDM4E (0.58) | KDM4EHRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL29616919 | 0.76 | KDM4E (0.61) | KDM4EHRH3CYP2D6LMNAALDH1A1 | |
| SCHEMBL18380643 | 0.76 | KDM4E (0.61) | KDM4EHRH3CYP2D6LMNAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5446057-A | Antiulcer agent, antisecretory agent, drug treating urogenital disorder, parkinson*s disease and alzheimer*s disease | WARNER-LAMBERT COMPANY (US) | 1995-08-29 | — | — | US | disclosed |