Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8215712 | 0.78 | KCNJ5 (0.46) | KMT2AL3MBTL1MEN1MAPK1KCNQ2 | |
| SCHEMBL10144069 | 0.78 | KMT2A (0.64) | KMT2AL3MBTL1CA12CA1CA2 | |
| SCHEMBL7091440 | 0.75 | GAA (0.53) | KMT2AL3MBTL1CA12CA1CA2 | |
| SCHEMBL8279071 | 0.69 | HPGD (0.57) | KMT2AL3MBTL1CA1CA2MEN1 | |
| SCHEMBL15193493 | 0.69 | MAPK1 (0.56) | KMT2ACA12CA1CA2CA9 | |
| SCHEMBL8480172 | 0.68 | KMT2A (0.48) | KMT2AL3MBTL1CA1CA2MEN1 | |
| SCHEMBL15437984 | 0.66 | KMT2A (0.77) | KMT2AL3MBTL1CA1CA2MEN1 | |
| SCHEMBL30117933 | 0.66 | KMT2A (0.77) | KMT2AL3MBTL1CA1CA2MEN1 | |
| SCHEMBL7088706 | 0.65 | MEN1 (0.60) | KMT2AL3MBTL1MEN1GAAALDH1A1 | |
| SCHEMBL7088364 | 0.65 | MEN1 (0.58) | KMT2AL3MBTL1CA12CA1CA2 |
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-0983226-A1 | NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | MERCK PATENT GmbH (DE) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998052906-A1 | NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | MERCK PATENT GMBH (DE) | 1998-11-26 | — | — | WO | disclosed |