Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10477198 | 1.00 | CYP2C9 (0.47) | CYP2C9ALDH1A1MAPTLMNAGAA | |
| SCHEMBL10477180 | 0.97 | CYP2C9 (0.46) | CYP2C9ALDH1A1MAPTLMNAGAA | |
| SCHEMBL10477178 | 0.97 | CYP2C9 (0.46) | CYP2C9ALDH1A1MAPTLMNAGAA | |
| SCHEMBL10347807 | 0.96 | CYP2C9 (0.46) | CYP2C9ALDH1A1MAPTLMNAGAA | |
| SCHEMBL10347806 | 0.96 | CYP2C9 (0.46) | CYP2C9ALDH1A1MAPTLMNAGAA | |
| SCHEMBL10347817 | 0.96 | CYP2C9 (0.46) | CYP2C9ALDH1A1MAPTLMNAGAA | |
| SCHEMBL10477103 | 0.96 | CYP2C9 (0.46) | CYP2C9ALDH1A1MAPTLMNAGAA | |
| SCHEMBL10347815 | 0.96 | CYP2C9 (0.46) | CYP2C9ALDH1A1MAPTLMNAGAA | |
| SCHEMBL10477101 | 0.96 | CYP2C9 (0.46) | CYP2C9ALDH1A1MAPTLMNAGAA | |
| SCHEMBL10348255 | 0.93 | CYP2C9 (0.55) | CYP2C9ALDH1A1MAPTLMNAGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4849130-A | ISOTHIOCYANATES | WOJSKOWA AKADEMIA TECHNICZNA (PL) | 1989-07-18 | — | — | US | disclosed |