Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.78 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9588408 | 0.96 | KDM4E (0.76) | KDM4ELMNACYP1A2CYP2D6CYP3A4 | |
| Butetamate SCHEMBL1643343 | 0.95 | KDM4E (0.84) | KDM4ELMNACYP1A2CYP2D6CYP3A4 | |
| Oxalic Acid SCHEMBL9589927 | 0.93 | KDM4E (0.72) | KDM4ELMNACYP1A2CYP2D6CYP3A4 | |
| Butetamate SCHEMBL8721011 | 0.92 | KDM4E (0.78) | KDM4ELMNACYP1A2CYP2D6CYP3A4 | |
| Butamirate SCHEMBL668881 | 0.87 | KDM4E (1.00) | KDM4ELMNACYP1A2CYP2D6CYP3A4 | |
| Butetamate SCHEMBL7339744 | 0.86 | KDM4E (0.70) | KDM4ELMNACYP1A2CYP2D6CYP3A4 | |
| Butetamate SCHEMBL317018 | 0.84 | KDM4E (1.00) | KDM4ELMNACYP1A2CYP2D6CYP3A4 | |
| SCHEMBL9588998 | 0.84 | KDM4E (0.63) | KDM4ELMNACYP1A2CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL26100 | 0.83 | CYP3A4 (0.70) | KDM4ELMNACYP1A2CYP2D6CYP3A4 | |
| Hydrochloric Acid SCHEMBL9588751 | 0.82 | KDM4E (0.61) | KDM4ELMNACYP1A2CYP2D6CYP3A4 |
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-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | disclosed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | disclosed |