Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 12/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPY1R | P25929 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPY2R | P49146 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14468315 | 0.87 | SLC6A4 (0.46) | SLC6A4SLC6A2SLC6A3HTR2AESR1 | |
| SCHEMBL9839945 | 0.83 | GRM5 (0.40) | ESR1ESR2TSHR | |
| SCHEMBL19211520 | 0.81 | ESR1 (0.55) | SLC6A4SLC6A2SLC6A3HTR2AESR1 | |
| SCHEMBL28168607 | 0.79 | GABRA1 (0.46) | TSHR | |
| SCHEMBL599914 | 0.76 | ESR1 (0.44) | ESR1ESR2TSHRALDH1A1MAPK1 | |
| SCHEMBL29407427 | 0.76 | ESR1 (0.44) | ESR1ESR2TSHRALDH1A1MAPK1 | |
| SCHEMBL23939926 | 0.76 | SLC6A4 (0.40) | SLC6A4SLC6A2SLC6A3HTR2ATSHR | |
| SCHEMBL14752228 | 0.75 | PDCD1 (0.52) | TSHR | |
| SCHEMBL19603177 | 0.74 | S1PR1 (0.35) | SLC6A4SLC6A2SLC6A3HTR2AESR1 | |
| Ammonia Solution, Strong SCHEMBL28176469 | 0.74 | ESR1 (0.43) | ESR1ESR2TSHRALDH1A1MAPK1 |
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-2367800-B1 | SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | BOEHRINGER INGELHEIM INT (DE) | 2018-02-28 | — | — | EP | disclosed |