Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.49 |
| ▸ | CTSS | P25774 | 4/20 | 0.48 |
| ▸ | CTSK | P43235 | 4/20 | 0.48 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.48 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24981983 | 1.00 | ACE (0.49) | ACECTSSCTSKITGA4ITGB7 | |
| SCHEMBL24981981 | 0.91 | TACR1 (0.48) | CTSSCTSKCTSBAAK1TACR1 | |
| SCHEMBL28989419 | 0.91 | TACR1 (0.48) | CTSSCTSKCTSBAAK1TACR1 | |
| SCHEMBL3553358 | 0.91 | ACE (0.49) | ACECTSSCTSKITGA4ITGB7 | |
| SCHEMBL21243764 | 0.91 | ACE (0.49) | ACECTSSCTSKITGA4ITGB7 | |
| SCHEMBL30829404 | 0.91 | ACE (0.49) | ACECTSSCTSKITGA4ITGB7 | |
| SCHEMBL3553357 | 0.91 | ACE (0.49) | ACECTSSCTSKITGA4ITGB7 | |
| SCHEMBL28989403 | 0.90 | AAK1 (0.47) | CTSSCTSKCTSBAAK1TACR1 | |
| SCHEMBL26781565 | 0.90 | AAK1 (0.47) | CTSSCTSKCTSBAAK1TACR1 | |
| SCHEMBL8650368 | 0.87 | SCN9A (0.52) | ACECTSSCTSKITGA4ITGB7 |
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-115996923-A | Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof | 四川海思科制药有限公司 | 2023-04-21 | — | — | CN | disclosed |