Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17770528 | 0.85 | L3MBTL1 (0.40) | KDM4EALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL3814861 | 0.82 | KMT2A (0.40) | CYP2D6KDM4EALDH1A1POLBMEN1 | |
| SCHEMBL3811168 | 0.72 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL4635643 | 0.72 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL5682636 | 0.70 | ALDH1A1 (0.44) | KDM4EALDH1A1LMNAPOLBMEN1 | |
| SCHEMBL5681436 | 0.70 | ALDH1A1 (0.44) | KDM4EALDH1A1LMNAPOLBMEN1 | |
| SCHEMBL5681615 | 0.70 | ALDH1A1 (0.44) | KDM4EALDH1A1LMNAPOLBMEN1 | |
| SCHEMBL11350118 | 0.69 | KMT2A (0.60) | OPRK1CYP2D6KDM4ELMNAMEN1 | |
| SCHEMBL11569408 | 0.68 | CA1 (0.30) | — | |
| SCHEMBL6131556 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-A1 | Nitroimidazoles and pharmaceutical compositions containing them as well as their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-03-07 | — | — | EP | disclosed |