Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL4208145 | 0.87 | CYP1A2 (0.47) | ALDH1A1KDM4ETSHRRAB9ANPC1 | |
| SCHEMBL27729422 | 0.81 | SIRT2 (0.44) | ALDH1A1KDM4ETSHRRAB9ANPC1 | |
| SCHEMBL4214065 | 0.81 | SIRT2 (0.44) | ALDH1A1KDM4ETSHRRAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL27729421 | 0.80 | SIRT2 (0.43) | ALDH1A1KDM4ETSHRRAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL4219539 | 0.80 | SIRT2 (0.43) | ALDH1A1KDM4ETSHRRAB9ANPC1 | |
| SCHEMBL514259 | 0.75 | ADRA2A (0.47) | ALDH1A1KDM4EADRA2AADRA2BADRA2C | |
| SCHEMBL23158732 | 0.74 | GBA1 (0.41) | ALDH1A1KDM4EADRA2AADRA2BADRA2C | |
| SCHEMBL8121390 | 0.73 | EPHX1 (0.50) | KMT2AEPHX1 | |
| SCHEMBL21447170 | 0.73 | EPHX1 (0.50) | KMT2AEPHX1 | |
| SCHEMBL10250742 | 0.72 | PTPRA (0.57) | ALDH1A1TSHRRAB9ANPC1MAPT |
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-2023134656-A1 | PEPTIDYL NITRILE COMPOUND AND USE THEREOF | 上海壹典医药科技开发有限公司 | 2023-07-20 | — | — | WO | disclosed |