Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 7/20 | 0.46 |
| ▸ | CTSS | P25774 | 6/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28668864 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL165350 | 0.88 | CYP2D6 (0.53) | CTSKCTSSCYP2D6CTSLCTSB | |
| SCHEMBL165351 | 0.88 | CYP2D6 (0.53) | CTSKCTSSCYP2D6CTSLCTSB | |
| SCHEMBL15071355 | 0.81 | CTSK (0.47) | CTSKCTSSCYP2D6CTSLCTSB | |
| SCHEMBL2719723 | 0.81 | CTSS (0.50) | CTSKCTSSCYP2D6CTSLCTSB | |
| SCHEMBL26110455 | 0.81 | CTSS (0.50) | CTSKCTSSCYP2D6CTSLCTSB | |
| SCHEMBL26110452 | 0.81 | CTSS (0.50) | CTSKCTSSCYP2D6CTSLCTSB | |
| SCHEMBL5958657 | 0.81 | CTSK (0.56) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL15259348 | 0.81 | CTSK (0.56) | CTSKCTSSCTSLCTSBCA1 | |
| SCHEMBL22866107 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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-110092738-B | Preparation method of vildagliptin | 深圳市第二人民医院 | 2021-11-16 | — | — | CN | claimed |
| CN-110092738-B | Preparation method of vildagliptin | 深圳市第二人民医院 | 2021-11-16 | — | — | CN | disclosed |