Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 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 | |
|---|---|---|---|---|
| SCHEMBL10764234 | 0.97 | LMNA (0.34) | CA1CA2CA4CA9LMNA | |
| SCHEMBL8248622 | 0.85 | CA1 (0.33) | CA1CA2CA4CA9 | |
| SCHEMBL11066492 | 0.79 | CA1 (0.30) | CA1CA2CA4CA9 | |
| SCHEMBL27767166 | 0.77 | — | — | |
| SCHEMBL11882976 | 0.75 | LMNA (0.39) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| Sulfuric Acid SCHEMBL28700686 | 0.74 | CA1 (0.46) | CA1CA2CA4CA9 | |
| SCHEMBL2057256 | 0.74 | TDP1 (0.36) | CA1CA2CA4CA9 | |
| SCHEMBL10979646 | 0.74 | CA1 (0.39) | CA1CA2CA4CA9 | |
| SCHEMBL651045 | 0.72 | CA1 (0.39) | CA1CA2CA4CA9 | |
| SCHEMBL1969291 | 0.72 | — | — |
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-114716448-B | Heterocyclic compound for inhibiting SHP2 activity, preparation method and application thereof | 中国科学院上海药物研究所 | 2024-01-30 | — | — | CN | disclosed |