Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4278010 | 0.79 | CA12 (0.40) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL11110764 | 0.78 | LMNA (0.43) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL6131654 | 0.73 | KMT2A (0.50) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL15024488 | 0.73 | NFE2L2 (0.43) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL28773409 | 0.73 | KMT2A (0.42) | KMT2ALMNATHRBCYP2C19CA12 | |
| Methyl Alcohol SCHEMBL27771562 | 0.72 | KMT2A (0.44) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL5317058 | 0.71 | CA12 (0.50) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL27442483 | 0.71 | TAAR1 (0.43) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL1979557 | 0.71 | — | — | |
| SCHEMBL9953609 | 0.69 | LMNA (0.40) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4456610-A | NEMATOCIDES | HOFFMANN-LA ROCHE INC. (US) | 1984-06-26 | — | — | US | disclosed |
| US-4366166-A | NEMATOCIDES | HOFFMANN-LA ROCHE INC. (US) | 1982-12-28 | — | — | US | disclosed |
| EP-0040761-A1 | 2-Nitroimidazole derivatives, their preparation, their use and compositions containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-12-02 | — | — | EP | disclosed |