Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8211833 | 0.79 | KMT2A (0.49) | TP53GAAALDH1A1LMNAKMT2A | |
| SCHEMBL8211469 | 0.78 | MEN1 (0.49) | TP53GAAPABPC1ALDH1A1LMNA | |
| SCHEMBL7084919 | 0.75 | CA1 (0.50) | GAAALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL8211423 | 0.74 | MEN1 (0.52) | ALDH1A1LMNAKMT2AMEN1MAPT | |
| SCHEMBL8215828 | 0.74 | KMT2A (0.52) | TP53GAAPABPC1ALDH1A1LMNA | |
| SCHEMBL7085084 | 0.72 | KMT2A (0.55) | GAAALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL8209806 | 0.71 | KMT2A (0.54) | GAAALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL6547471 | 0.68 | KMT2A (0.64) | TP53GAAALDH1A1LMNAKMT2A | |
| SCHEMBL20952478 | 0.68 | ESR1 (0.43) | GAAALDH1A1MAPTHDAC1 | |
| SCHEMBL6170000 | 0.67 | KMT2A (0.57) | TP53GAAALDH1A1LMNAKMT2A |
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 |