Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | GPR52 | Q9Y2T5 | 7/20 | 0.42 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 4/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | BRAF | P15056 | 2/20 | 0.40 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7783011 | 0.99 | THRB (0.46) | THRBGPR52TNNI3KKDRPDGFRB | |
| SCHEMBL7780162 | 0.88 | GPR52 (0.48) | THRBGPR52TNNI3KKDREGFR | |
| Hydrochloric Acid SCHEMBL7776099 | 0.87 | GPR52 (0.48) | THRBGPR52TNNI3KKDREGFR | |
| SCHEMBL7780172 | 0.87 | KMO (0.43) | KDRPDGFRBKITFLT1BRAF | |
| SCHEMBL7782959 | 0.86 | THRB (0.62) | THRBGPR52TNNI3KKDREGFR | |
| Hydrochloric Acid SCHEMBL7781124 | 0.85 | THRB (0.61) | THRBGPR52TNNI3KKDREGFR | |
| SCHEMBL7781150 | 0.85 | THRB (0.55) | THRBTNNI3KKDREGFRBRAF | |
| SCHEMBL7783732 | 0.84 | KDR (0.42) | KDRPDGFRBKITFLT1BRAF | |
| SCHEMBL7781111 | 0.80 | STK17B (0.41) | KDRKITBRAFNR3C2 | |
| Hydrochloric Acid SCHEMBL7783014 | 0.79 | STK17B (0.40) | KDRKITBRAFNR3C2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0972770-B1 | Acaricidal and insecticidal substituted pyrimidines and a process for the preparation thereof | BASF AG (DE) | 2001-09-19 | — | — | EP | claimed |