Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CTPS1 | P17812 | 3/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | PTPRB | P23467 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL21384619 | 0.87 | CASP6 (0.44) | CASP6GAAMMP8MMP12MMP13 | |
| SCHEMBL21392311 | 0.83 | CTPS1 (0.47) | MEN1KMT2ACTPS1ARHPGD | |
| SCHEMBL21373726 | 0.79 | CTPS1 (0.45) | CTPS1 | |
| SCHEMBL21392152 | 0.79 | PTPN1 (0.36) | MMP13PTPN1 | |
| SCHEMBL30415860 | 0.79 | PTPN1 (0.36) | MMP13PTPN1 | |
| SCHEMBL26977404 | 0.79 | AR (0.35) | CASP6GAAMEN1KMT2AAR | |
| SCHEMBL21392150 | 0.76 | RAB9A (0.32) | GAAKMT2AARRAB9APOLB | |
| SCHEMBL21373801 | 0.73 | AAK1 (0.36) | CTPS1 | |
| SCHEMBL28478417 | 0.73 | CASP6 (0.42) | CASP6GAAMMP8MMP12MMP13 | |
| SCHEMBL21387592 | 0.71 | CTPS1 (0.31) | CTPS1 |
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-111868051-B | Aminopyrimidine derivatives as CTPS1 inhibitors | 斯泰普制药股份公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-111868051-A | Aminopyrimidine derivatives as CTPS1 inhibitors | 斯泰普制药股份公司 | 2020-10-30 | — | — | CN | disclosed |