Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| (Phenylamino)Acetonitrile SCHEMBL197012 | 0.98 | ALDH1A1 (0.48) | ALDH1A1MAPTCDK1CDK2CA2 | |
| (Phenylamino)Acetonitrile SCHEMBL7717385 | 0.95 | MAPT (0.46) | ALDH1A1MAPTCDK1CDK2CA2 | |
| (Phenylamino)Acetonitrile SCHEMBL10944153 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPTTSHRL3MBTL1MEN1 | |
| (Phenylamino)Acetonitrile SCHEMBL4430710 | 0.82 | PKM (0.43) | ALDH1A1MAPTCDK1CDK2CA2 | |
| SCHEMBL5250150 | 0.80 | LMNA (0.50) | ALDH1A1MAPTTSHRMEN1KMT2A | |
| SCHEMBL10997472 | 0.77 | GRM5 (0.53) | ALDH1A1MAPTCA2CA9GRM5 | |
| SCHEMBL8395286 | 0.76 | MAPT (0.58) | ALDH1A1MAPTCA2CA9L3MBTL1 | |
| SCHEMBL7573615 | 0.76 | CA2 (0.43) | ALDH1A1MAPTCDK1CDK2CA2 | |
| SCHEMBL28924232 | 0.76 | LMNA (0.48) | ALDH1A1MAPTCDK1CDK2TSHR | |
| SCHEMBL728548 | 0.75 | MAPT (0.41) | ALDH1A1MAPTCDK1CDK2CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023226263-A1 | ANILINOACETATE AND SYNTHESIS METHOD THEREFOR | 上海东庚化工技术有限公司 | 2023-11-30 | — | — | WO | disclosed |