Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21154735 | 0.84 | CYP3A4 (0.41) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL960748 | 0.71 | SSTR4 (0.37) | SYK | |
| SCHEMBL22981717 | 0.71 | CYP3A4 (0.41) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL29726219 | 0.71 | CYP3A4 (0.41) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL490754 | 0.69 | LMNA (0.62) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL30295883 | 0.68 | — | — | |
| SCHEMBL490372 | 0.67 | CYP3A4 (0.57) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19785519 | 0.67 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19785248 | 0.67 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL21383708 | 0.66 | CYP3A4 (0.49) | CYP3A4TSHRTDP1ATMALDH1A1 |
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-116478131-A | 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-116478132-A | 2, 5-disubstituted and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-07-25 | — | — | CN | disclosed |