Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MKNK1 | Q9BUB5 | 6/20 | 0.51 |
| ▸ | MKNK2 | Q9HBH9 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | HPGDS | O60760 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5392323 | 1.00 | CYP3A4 (0.56) | CYP3A4CYP2C19CYP1A2LMNAMKNK1 | |
| SCHEMBL27768593 | 0.87 | NPC1 (0.59) | CYP3A4CYP2C19CYP1A2LMNAMKNK1 | |
| SCHEMBL1421843 | 0.86 | MKNK1 (0.62) | CYP3A4CYP2C19CYP1A2LMNAMKNK1 | |
| SCHEMBL14343335 | 0.84 | CYP3A4 (0.63) | CYP3A4CYP2C19CYP1A2LMNAMKNK1 | |
| SCHEMBL12725601 | 0.84 | NPC1 (0.49) | CYP3A4CYP2C19CYP1A2LMNAMKNK1 | |
| SCHEMBL892779 | 0.83 | MAPT (0.68) | CYP3A4CYP2C19CYP1A2SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL1421806 | 0.83 | NPC1 (0.48) | CYP3A4CYP2C19CYP1A2LMNAMKNK1 | |
| SCHEMBL10848656 | 0.82 | CDC7 (0.61) | CYP1A2SMN1; SMN2NPC1ALDH1A1MAPT | |
| SCHEMBL11388698 | 0.82 | ALDH1A1 (0.51) | CYP3A4CYP2C19CYP1A2LMNAMKNK1 | |
| SCHEMBL24702452 | 0.81 | HPGDS (0.54) | CYP3A4CYP2C19CYP1A2LMNAMKNK1 |
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-110167937-B | Bicyclic bis-heteroaryl derivatives as modulators of protein aggregation | UCB生物制药私人有限公司 | 2022-03-29 | — | — | CN | disclosed |