Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.35 |
| ▸ | CTPS1 | P17812 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30882869 | 1.00 | CYP2C19 (0.38) | CYP2C19CYP3A4CYP2C9PKMMMP1 | |
| SCHEMBL21392141 | 0.84 | ANO1 (0.39) | CYP2C19CYP3A4CYP2C9PKMMMP1 | |
| SCHEMBL21392151 | 0.82 | FFAR4 (0.37) | CYP2C19CYP3A4CYP2C9PKMANO1 | |
| SCHEMBL21392084 | 0.81 | CYP3A4 (0.41) | CYP2C19CYP3A4CYP2C9PKMMMP1 | |
| SCHEMBL22758529 | 0.77 | CTPS1 (0.37) | CYP2C19CYP3A4CYP2C9PKMANO1 | |
| SCHEMBL21392181 | 0.77 | CTPS1 (0.48) | CTPS1 | |
| SCHEMBL21431232 | 0.75 | ALDH1A1 (0.43) | CYP2C19CYP2C9CTPS1ALDH1A1KMT2A | |
| SCHEMBL25374633 | 0.75 | CYP2C19 (0.39) | CYP2C19CYP3A4CYP2C9PKMALDH1A1 | |
| SCHEMBL29551162 | 0.75 | TSHR (0.42) | CYP2C19CYP3A4CYP2C9PKMALDH1A1 | |
| SCHEMBL9966412 | 0.75 | TSHR (0.42) | CYP2C19CYP3A4CYP2C9PKMALDH1A1 |
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 |