Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.54 |
| ▸ | GRM5 | P41594 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL781659 | 0.86 | CYP1A2 (0.87) | CYP1A2CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL3089716 | 0.86 | CYP1A2 (0.71) | CYP1A2CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL29577310 | 0.83 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL5795083 | 0.83 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL6708175 | 0.83 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19LMNAMAPT | |
| Hydrochloric Acid SCHEMBL27538332 | 0.82 | CYP1A2 (0.97) | CYP1A2CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL3435956 | 0.81 | CYP1A2 (0.64) | CYP1A2CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL135679 | 0.79 | LMNA (1.00) | CYP1A2CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL2898307 | 0.79 | CYP1A2 (0.75) | CYP1A2CYP2C9CYP2C19LMNAMAPT | |
| SCHEMBL6110694 | 0.79 | CYP1A2 (0.75) | CYP1A2CYP2C9CYP2C19LMNAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111848591-B | HDAC inhibitors and methods of making and using the same | 成都先导药物开发股份有限公司 | 2022-03-18 | — | — | CN | disclosed |
| CN-111848591-A | HDAC inhibitors and methods of making and using the same | 成都先导药物开发股份有限公司 | 2020-10-30 | — | — | CN | disclosed |