Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.49 |
| ▸ | EDNRA | P25101 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TOP1 | P11387 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29475779 | 0.86 | MEN1 (0.51) | CYP2D6PARP3MAPTLMNATP53 | |
| SCHEMBL27723842 | 0.86 | MAPT (0.51) | CYP2D6PARP3MAPTLMNATP53 | |
| SCHEMBL28769107 | 0.82 | CYP19A1 (0.45) | CYP2D6PARP3MAPTLMNATP53 | |
| SCHEMBL29475777 | 0.82 | RAB9A (0.55) | CYP2D6EDNRAMAPTTP53MAPK1 | |
| SCHEMBL29475775 | 0.82 | MAPT (0.47) | CYP2D6PARP3MAPTLMNAMAPK1 | |
| SCHEMBL8117184 | 0.82 | CYP1A2 (0.50) | CYP2D6PARP3EDNRAMAPTLMNA | |
| SCHEMBL29475773 | 0.78 | CYP2D6 (0.49) | CYP2D6PARP3EDNRALMNAALDH1A1 | |
| SCHEMBL4307405 | 0.77 | EDNRA (0.43) | CYP2D6PARP3EDNRAMAPTLMNA | |
| SCHEMBL3994733 | 0.77 | CYP2D6 (0.55) | CYP2D6PARP3EDNRAMAPTLMNA | |
| SCHEMBL19141707 | 0.77 | MAPT (0.45) | CYP2D6PARP3EDNRAMAPTLMNA |
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-112574014-B | Method for synthesizing chiral beta-hydroxy ketone by palladium-catalyzed asymmetric reduction | 中国科学院大连化学物理研究所 | 2022-03-11 | — | — | CN | disclosed |