Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23934144 | 0.80 | OPRK1 (0.39) | TAAR1OPRM1OPRD1OPRK1ALDH1A1 | |
| SCHEMBL19355009 | 0.80 | OPRK1 (0.39) | TAAR1OPRM1OPRD1OPRK1ALDH1A1 | |
| Formic Acid Methyl Ester SCHEMBL27683125 | 0.68 | AOC3 (0.42) | TAAR1AOC3ALDH1A1LMNAPPARG | |
| SCHEMBL98043 | 0.68 | IDO1 (0.55) | TAAR1ALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL2096285 | 0.67 | TAAR1 (0.52) | TAAR1AOC3ALDH1A1LMNAIDO1 | |
| SCHEMBL6153079 | 0.65 | ALDH1A1 (0.41) | TAAR1AOC3ALDH1A1LMNAPPARG | |
| SCHEMBL5542898 | 0.65 | ALDH1A1 (0.50) | TAAR1AOC3ALDH1A1KDM4ELMNA | |
| SCHEMBL14640355 | 0.65 | ALDH1A1 (0.41) | TAAR1AOC3ALDH1A1LMNAPPARG | |
| SCHEMBL28877578 | 0.65 | CPA1 (0.38) | TAAR1PPARGPPARA | |
| Formic Acid SCHEMBL27702276 | 0.64 | GABRA1 (0.47) | TAAR1AOC3ALDH1A1KDM4ELMNA |
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-3426654-B1 | DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION | HARVARD COLLEGE (US) | 2021-10-20 | — | — | EP | disclosed |