Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 5/20 | 0.48 |
| ▸ | BCAT1 | P54687 | 5/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8195569 | 0.89 | POLB (0.48) | BCAT2BCAT1MEN1KMT2AAR | |
| SCHEMBL8215400 | 0.84 | BCAT2 (0.42) | BCAT2BCAT1GRM1 | |
| SCHEMBL7171795 | 0.81 | NR1H3 (0.45) | BCAT2BCAT1MEN1KMT2AHTT | |
| SCHEMBL7170081 | 0.79 | ESR1 (0.46) | ESR1ESR2PDCD1CD274ALDH1A1 | |
| SCHEMBL14387538 | 0.77 | GRM1 (0.44) | ESR1ESR2MEN1KMT2AALDH1A1 | |
| SCHEMBL7173002 | 0.76 | ALDH1A1 (0.43) | BCAT2BCAT1PDCD1CD274ALDH1A1 | |
| SCHEMBL6861000 | 0.72 | BCAT1 (0.48) | BCAT2BCAT1HTTALDH1A1MAPT | |
| SCHEMBL10754662 | 0.68 | AR (0.57) | ESR1ESR2MEN1KMT2AAR | |
| SCHEMBL14387539 | 0.68 | GRM1 (0.38) | BCAT2BCAT1ESR1ESR2PDCD1 | |
| SCHEMBL8175336 | 0.68 | GRM1 (0.42) | BRD4ARGRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000043375-A2 | SUBSTITUTED ARYL HETEROCYCLIC COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-07-27 | — | — | WO | disclosed |