Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL30295953 | 0.89 | ALDH1A1 (0.34) | ALDH1A1MAPK1CYP3A4TSHRATM | |
| SCHEMBL30295996 | 0.88 | ALDH1A1 (0.33) | ALDH1A1MAPK1CYP3A4TSHRATM | |
| SCHEMBL30295883 | 0.82 | — | — | |
| SCHEMBL30295962 | 0.81 | ACACB (0.33) | — | |
| SCHEMBL30295767 | 0.80 | MERTK (0.35) | MAPK1 | |
| SCHEMBL5796472 | 0.63 | CYP3A4 (0.47) | ALDH1A1MAPK1CYP3A4TSHRATM | |
| SCHEMBL19785248 | 0.62 | CYP3A4 (0.50) | ALDH1A1MAPK1CYP3A4TSHRATM | |
| Bicarbonate SCHEMBL17800242 | 0.60 | ALDH1A1 (0.53) | ALDH1A1MAPK1CYP3A4TSHRCA2 | |
| SCHEMBL15440901 | 0.60 | ALDH1A1 (0.35) | ALDH1A1MAPK1CYP3A4TSHRTDP1 | |
| SCHEMBL11331262 | 0.59 | ALDH1A1 (0.44) | ALDH1A1MAPK1CYP3A4TSHRATM |
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 3 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 |
| CN-109983001-B | 2, 5-disubstituted 3-methylpyrazines and 2,5, 6-trisubstituted 3-methylpyrazines as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-04-04 | — | — | CN | disclosed |