Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 8/20 | 0.36 |
| ▸ | HTR2A | P28223 | 7/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL8773593 | 0.82 | SLC6A4 (0.43) | SLC6A4HTR2CHTR2B | |
| SCHEMBL17151850 | 0.81 | HTR2C (0.35) | HTR2CHTR2AS1PR1HTR2BKCNH2 | |
| SCHEMBL1346422 | 0.81 | SLC6A4 (0.58) | SLC6A4 | |
| SCHEMBL3081718 | 0.79 | SLC6A4 (0.50) | SLC6A4 | |
| SCHEMBL10456779 | 0.78 | CA12 (0.42) | SLC6A4S1PR1APP | |
| SCHEMBL28620316 | 0.78 | LMNA (0.41) | SLC6A4HTR2CHTR2AHTR2B | |
| SCHEMBL527228 | 0.76 | MAPT (0.40) | SLC6A4FFAR1FFAR4HTR2CHTR2A | |
| SCHEMBL16216131 | 0.75 | SLC6A4 (0.39) | SLC6A4FFAR1FFAR4APP | |
| SCHEMBL16218937 | 0.75 | SLC6A4 (0.39) | SLC6A4FFAR1FFAR4 | |
| SCHEMBL20482622 | 0.74 | FFAR1 (0.47) | FFAR1FFAR4HTR2CHTR2ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113387894-B | 1-N-benzene acetonitrile amido-triazole and pyrimidine derivative, preparation method and application thereof | 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) | 2023-02-24 | — | — | CN | disclosed |
| CN-113387894-A | 1-N-benzene acetonitrile amido-triazole and pyrimidine derivative, preparation method and application thereof | 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) | 2021-09-14 | — | — | CN | disclosed |