Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11390701 | 0.99 | CYP3A4 (0.58) | CYP3A4CYP2D6OPRK1KMT2AKDM4E | |
| SCHEMBL11465450 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP2D6OPRK1KMT2AKDM4E | |
| Iodide SCHEMBL9190400 | 0.81 | KMT2A (0.58) | CYP3A4CYP2D6OPRK1KMT2ACA12 | |
| SCHEMBL9085514 | 0.81 | KMT2A (0.58) | CYP3A4CYP2D6OPRK1KMT2AKDM4E | |
| SCHEMBL8855559 | 0.80 | KMT2A (0.57) | CYP3A4CYP2D6OPRK1KMT2AALDH1A1 | |
| SCHEMBL367445 | 0.80 | KMT2A (0.57) | CYP3A4CYP2D6OPRK1KMT2ACA12 | |
| SCHEMBL8855458 | 0.80 | KMT2A (0.57) | CYP3A4CYP2D6OPRK1KMT2ACA12 | |
| SCHEMBL8855564 | 0.80 | KMT2A (0.57) | CYP3A4CYP2D6OPRK1KMT2ACA12 | |
| SCHEMBL8895125 | 0.80 | KMT2A (0.57) | CYP3A4CYP2D6OPRK1KMT2ACA12 | |
| SCHEMBL8895890 | 0.80 | KMT2A (0.57) | CYP3A4CYP2D6OPRK1KMT2ACA12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000928-B1 | NITROIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AS WELL AS THEIR PREPARATION | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-03-18 | — | — | EP | claimed |
| US-4241060-A | FOR SENSITIZING HYPOXIC CELLS TO RADIATION; ANTIPROTOZAL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-12-23 | — | — | US | claimed |
| EP-0000928-A1 | Nitroimidazoles and pharmaceutical compositions containing them as well as their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-03-07 | — | — | EP | claimed |
| EP-0000928-B1 | NITROIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AS WELL AS THEIR PREPARATION | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-03-18 | — | — | EP | disclosed |
| US-4241060-A | FOR SENSITIZING HYPOXIC CELLS TO RADIATION; ANTIPROTOZAL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-12-23 | — | — | US | disclosed |
| EP-0000928-A1 | Nitroimidazoles and pharmaceutical compositions containing them as well as their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-03-07 | — | — | EP | disclosed |