Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 7/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19386088 | 1.00 | MTNR1A (0.50) | MTNR1AMTNR1BCYP1A2HDAC1HDAC2 | |
| SCHEMBL19385987 | 0.91 | HTT (0.55) | MTNR1AMTNR1BCYP1A2HDAC1HDAC2 | |
| SCHEMBL29858122 | 0.91 | HTT (0.55) | MTNR1AMTNR1BCYP1A2HDAC1HDAC2 | |
| SCHEMBL2842316 | 0.88 | HDAC1 (0.49) | CYP1A2HDAC1HDAC2SMN1; SMN2ALDH1A1 | |
| SCHEMBL2837975 | 0.84 | HDAC1 (0.48) | CYP1A2HDAC1HDAC2OPRM1OPRK1 | |
| SCHEMBL19407338 | 0.83 | NPSR1 (0.64) | CYP1A2HDAC1HDAC2SMN1; SMN2ALDH1A1 | |
| SCHEMBL29858336 | 0.83 | NPSR1 (0.64) | CYP1A2HDAC1HDAC2SMN1; SMN2ALDH1A1 | |
| SCHEMBL2842747 | 0.82 | HDAC1 (0.50) | CYP1A2HDAC1HDAC2OPRM1OPRK1 | |
| SCHEMBL2414395 | 0.79 | PKM (0.47) | CYP1A2HDAC1HDAC2ALDH1A1HPGD | |
| Acetic Acid SCHEMBL29172163 | 0.78 | CYP1A2 (0.53) | CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109563045-B | Pd (II) -catalysed enantioselective beta-methylene C (sp) 3 ) -H bond activation | 斯克里普斯研究学院 | 2022-08-23 | — | — | CN | disclosed |