Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HPD | P32754 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 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 | |
|---|---|---|---|---|
| SCHEMBL7622572 | 0.93 | CLK1 (0.45) | ALDH1A1ALDH3A1MEN1KMT2AMAPT | |
| SCHEMBL8489315 | 0.83 | ALDH1A1 (0.45) | ALDH1A1ALDH3A1MEN1KMT2AMAPT | |
| Mesotrione SCHEMBL22116 | 0.81 | HPD (0.62) | ALDH1A1ALDH3A1MEN1KMT2AMAPT | |
| Mesotrione SCHEMBL4895947 | 0.81 | HPD (0.62) | ALDH1A1ALDH3A1MEN1KMT2AMAPT | |
| Mesotrione SCHEMBL29352201 | 0.81 | HPD (0.62) | ALDH1A1ALDH3A1MEN1KMT2AMAPT | |
| SCHEMBL999603 | 0.81 | HPD (0.42) | ALDH1A1ALDH3A1MEN1KMT2AMAPT | |
| SCHEMBL1202449 | 0.80 | ALDH1A1 (0.56) | ALDH1A1ALDH3A1MEN1KMT2AMAPT | |
| Hydrogen Peroxide SCHEMBL28991385 | 0.80 | ALDH1A1 (0.56) | ALDH1A1ALDH3A1MEN1KMT2AMAPT | |
| SCHEMBL18287474 | 0.80 | ALDH3A1 (0.53) | ALDH1A1ALDH3A1MEN1KMT2AMAPT | |
| Mesotrione SCHEMBL2233142 | 0.80 | HPD (0.61) | ALDH1A1ALDH3A1MEN1KMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0063101-B1 | NITROARYL-ALKYL-SULFONE DERIVATIVES AS GAMETOCIDES | CIBA-GEIGY AG (CH) | 1987-04-01 | — | — | EP | claimed |
| EP-0063101-A1 | Nitroaryl-alkyl-sulfone derivatives as gametocides | CIBA-GEIGY AG (CH) | 1982-10-20 | — | — | EP | claimed |
| EP-0063101-A1 | Nitroaryl-alkyl-sulfone derivatives as gametocides | CIBA-GEIGY AG (CH) | 1982-10-20 | — | — | EP | disclosed |