Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 6/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | TYMP | P19971 | 3/20 | 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 SCHEMBL11455609 | 0.99 | KMT2A (0.60) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL8855479 | 0.89 | KMT2A (0.58) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL9085256 | 0.89 | KMT2A (0.58) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL8855640 | 0.88 | KMT2A (0.57) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL8855648 | 0.88 | KMT2A (0.57) | KMT2ALMNATHRBCYP2C19CA12 | |
| Bromide SCHEMBL8855683 | 0.88 | KMT2A (0.57) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL8855592 | 0.88 | KMT2A (0.57) | KMT2ALMNATHRBCYP2C19CA12 | |
| Bromide SCHEMBL8855602 | 0.87 | KMT2A (0.56) | KMT2ALMNATHRBCYP2C19CA12 | |
| Hydrochloric Acid SCHEMBL8855620 | 0.87 | KMT2A (0.56) | KMT2ALMNATHRBCYP2C19CA12 | |
| Hydrochloric Acid SCHEMBL8855469 | 0.87 | KMT2A (0.56) | KMT2ALMNATHRBCYP2C19CA12 |
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 4 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-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 |