Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30478696 | 1.00 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9ALMNAKMT2A | |
| SCHEMBL22076876 | 0.89 | NPC1 (0.37) | ALDH1A1NPC1RAB9ALMNAKMT2A | |
| SCHEMBL22076875 | 0.89 | NPC1 (0.37) | ALDH1A1NPC1RAB9ALMNAKMT2A | |
| SCHEMBL20605289 | 0.77 | ALDH1A1 (0.40) | ALDH1A1NPC1RAB9ALMNAKMT2A | |
| SCHEMBL20605293 | 0.77 | ALDH1A1 (0.40) | ALDH1A1NPC1RAB9ALMNAKMT2A | |
| SCHEMBL29025875 | 0.76 | S1PR1 (0.40) | ALDH1A1 | |
| SCHEMBL2249224 | 0.76 | ALDH1A1 (0.37) | ALDH1A1LMNAKMT2ATDP1HTT | |
| SCHEMBL19322331 | 0.74 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9AKMT2AGAA | |
| SCHEMBL2249233 | 0.74 | IMPDH2 (0.36) | ALDH1A1LMNAKMT2AHTTGAA | |
| SCHEMBL24167727 | 0.73 | EGFR (0.40) | ALDH1A1NPC1RAB9ALMNAKMT2A |
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-109422755-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2023-07-04 | — | — | CN | disclosed |