Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23071529 | 0.82 | IDH1 (0.39) | CYP2C19MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL335898 | 0.82 | ESR2 (0.52) | CYP2C19ALDH1A1LMNACYP3A4 | |
| SCHEMBL28343291 | 0.82 | ALDH1A1 (0.33) | CYP2C19ALDH1A1LMNACYP3A4HTT | |
| SCHEMBL11461120 | 0.79 | ALDH1A1 (0.33) | CYP2C19ALDH1A1LMNACYP3A4HTT | |
| SCHEMBL11481127 | 0.79 | MAPK1 (0.47) | HTR3ASRD5A1CCR2SLC6A3MAP1LC3B | |
| SCHEMBL1445179 | 0.78 | HTR3A (0.45) | HTR3ADRD2SRD5A1MEN1KMT2A | |
| SCHEMBL19031705 | 0.78 | LMNA (0.37) | CYP2D6CYP2B6CYP2C19ALDH1A1LMNA | |
| Bicarbonate SCHEMBL28346273 | 0.77 | ESR2 (0.46) | CYP2C19ALDH1A1LMNACYP3A4HTT | |
| SCHEMBL23071549 | 0.77 | IDH1 (0.40) | CYP2C19ALDH1A1LMNACYP3A4HTT | |
| SCHEMBL7784850 | 0.77 | ALDH1A1 (0.37) | CYP2C19MEN1KMT2AALDH1A1CYP3A4 |
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-7939509-B2 | Partial and full agonists of A1 adenosine receptors | GILEAD SCIENCES, INC. (US) | 2011-05-10 | — | — | US | disclosed |