Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | CASP1 | P29466 | 4/20 | 0.43 |
| ▸ | CASP7 | P55210 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21668602 | 0.91 | ABCG2 (0.47) | ABCG2ABCB1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL22789455 | 0.90 | MAOA (0.44) | ABCG2ABCB1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL21668590 | 0.85 | CDK2 (0.54) | ABCG2CDK2MEN1ALDH1A1MAPT | |
| SCHEMBL22772267 | 0.80 | ALDH1A1 (0.52) | CYP1A1CYP1A2CYP1B1CDK2MAOA | |
| SCHEMBL21647174 | 0.79 | ALDH1A1 (0.47) | ABCG2ABCB1CYP1A2MAOAACHE | |
| SCHEMBL22789207 | 0.78 | ACHE (0.43) | ABCG2ABCB1CYP1A2MAOAACHE | |
| SCHEMBL14697003 | 0.77 | ABCG2 (0.69) | ABCG2ABCB1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL23473389 | 0.77 | CDK2 (0.44) | ABCG2ABCB1CDK2MEN1ALDH1A1 | |
| SCHEMBL7655891 | 0.76 | APP (0.67) | ABCG2ABCB1CDK2ACHEMEN1 | |
| SCHEMBL21647185 | 0.75 | USP8 (0.50) | CDK2MAOAACHEUSP8TERT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3831821-A1 | COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF | Shaanxi Micot Technology Limited Company (CN) | 2021-06-09 | — | — | EP | disclosed |
| WO-2020024977-A1 | COMPOUND FOR TREATING NERVOUS SYSTEM DISEASES AND USE THEREOF | 陕西麦科奥特科技有限公司 | 2020-02-06 | — | — | WO | disclosed |