Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8211884 | 0.92 | KMT2A (0.40) | KMT2AALDH1A1TP53HIF1AMAPT | |
| SCHEMBL8215758 | 0.87 | KMT2A (0.35) | KMT2AALDH1A1TP53HIF1AMAPT | |
| SCHEMBL8211436 | 0.80 | ALDH1A1 (0.45) | KMT2AALDH1A1TP53HIF1AMAPT | |
| SCHEMBL7091629 | 0.80 | CYP2C19 (0.38) | ALDH1A1MAPTNPC1POLBRAB9A | |
| SCHEMBL8752484 | 0.74 | ALDH1A1 (0.60) | KMT2AALDH1A1TP53HIF1AMAPT | |
| SCHEMBL9640825 | 0.74 | KDM4E (0.61) | KMT2AALDH1A1TP53HIF1AMAPT | |
| SCHEMBL7085464 | 0.73 | CYP2C19 (0.41) | KMT2AALDH1A1NPC1POLBRAB9A | |
| SCHEMBL6998722 | 0.72 | ADORA2B (0.43) | KMT2AMAPTNPC1POLBRAB9A | |
| SCHEMBL7088791 | 0.71 | KMT2A (0.37) | KMT2AALDH1A1NPC1POLBRAB9A | |
| SCHEMBL9386214 | 0.69 | GSK3B (0.55) | KMT2AALDH1A1MAPTNPC1RAB9A |
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 | claimed |
| WO-1998052906-A1 | NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | MERCK PATENT GMBH (DE) | 1998-11-26 | — | — | WO | claimed |