Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 4/20 | 0.33 |
| ▸ | USP7 | Q93009 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28664582 | 1.00 | ALDH1A1 (0.35) | ALDH1A1MAPTLMNARECQLTDP1 | |
| SCHEMBL30083006 | 0.86 | MAPT (0.32) | ALDH1A1MAPTLMNACYP3A4PIK3CA | |
| SCHEMBL28660308 | 0.86 | MAPT (0.32) | ALDH1A1MAPTLMNACYP3A4PIK3CA | |
| SCHEMBL30083022 | 0.82 | P2RX3 (0.35) | MAPTRORCPIK3CA | |
| SCHEMBL6768893 | 0.79 | MAPT (0.41) | ALDH1A1MAPTLMNATDP1PDE7A | |
| SCHEMBL22959061 | 0.78 | RORC (0.51) | ALDH1A1MAPTLMNAHPGDSMN1; SMN2 | |
| SCHEMBL30148695 | 0.77 | ALDH1A1 (0.41) | ALDH1A1MAPTLMNASMN1; SMN2NPC1 | |
| SCHEMBL24449313 | 0.76 | RORC (0.45) | ALDH1A1MAPTLMNAHPGDSMN1; SMN2 | |
| SCHEMBL24449301 | 0.73 | PDE7A (0.50) | ALDH1A1MAPTLMNAPDE7AHPGD | |
| SCHEMBL3357119 | 0.71 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNARECQLTDP1 |
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-113698388-B | 6-oxo-1, 6-dihydropyridine derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |