Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 7/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25312447 | 0.91 | USP2 (0.40) | RORCUSP2SMN1; SMN2NR1H2MAPT | |
| SCHEMBL25312451 | 0.91 | USP2 (0.40) | RORCUSP2SMN1; SMN2NR1H2MAPT | |
| SCHEMBL25869829 | 0.84 | RORC (0.39) | RORCUSP2SMN1; SMN2NR1H2MAPT | |
| SCHEMBL30987027 | 0.84 | RORC (0.41) | RORCUSP2SMN1; SMN2NR1H2MAPT | |
| SCHEMBL28713613 | 0.84 | RORC (0.39) | RORCUSP2SMN1; SMN2NR1H2MAPT | |
| SCHEMBL30987087 | 0.84 | RORC (0.41) | RORCUSP2SMN1; SMN2NR1H2MAPT | |
| SCHEMBL30987170 | 0.84 | RORC (0.41) | RORCUSP2SMN1; SMN2NR1H2MAPT | |
| SCHEMBL25869374 | 0.83 | USP2 (0.40) | RORCUSP2SMN1; SMN2NR1H2SCD5 | |
| SCHEMBL30987036 | 0.83 | USP2 (0.38) | RORCUSP2SMN1; SMN2NR1H2MAPT | |
| SCHEMBL30987189 | 0.81 | RORC (0.39) | RORCUSP2SMN1; SMN2NR1H2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-114106005-A | Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof | 四川海思科制药有限公司 | 2022-03-01 | — | — | CN | disclosed |