Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | PTPRA | P18433 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | PTGFR | P43088 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10768949 | 0.88 | CYP1A2 (0.51) | POLBCYP1A2ATMSMN1; SMN2ALDH1A1 | |
| SCHEMBL28583822 | 0.86 | PTPRA (0.46) | POLBCYP1A2PTPRAATMCYP2D6 | |
| SCHEMBL28583820 | 0.86 | PTPRA (0.46) | POLBCYP1A2PTPRAATMCYP2D6 | |
| SCHEMBL4890941 | 0.84 | ATM (0.48) | CYP1A2PTPRAATMHDAC6HDAC1 | |
| SCHEMBL268002 | 0.84 | ACE (0.56) | PTPRAHDAC6HDAC1CTSSCTSL | |
| SCHEMBL4902230 | 0.84 | ATM (0.48) | CYP1A2PTPRAATMHDAC6HDAC1 | |
| SCHEMBL215178 | 0.84 | ACE (0.56) | PTPRAHDAC6HDAC1CTSSCTSL | |
| SCHEMBL22559221 | 0.84 | ATM (0.48) | CYP1A2PTPRAATMHDAC6HDAC1 | |
| SCHEMBL215179 | 0.84 | ACE (0.56) | PTPRAHDAC6HDAC1CTSSCTSL | |
| SCHEMBL28580626 | 0.84 | HDAC6 (0.46) | PTPRAATMHDAC6HDAC1CTSS |
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-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |