Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 8/20 | 0.34 |
| ▸ | LPL | P06858 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 3/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19806051 | 0.69 | CYP1A2 (0.38) | KDM4EALDH1A1MGLL | |
| SCHEMBL19806031 | 0.68 | TRPA1 (0.31) | ALDH1A1 | |
| SCHEMBL12483400 | 0.68 | BRPF1 (0.39) | CA2CA1ALDH1A1CA4CA7 | |
| SCHEMBL23302009 | 0.64 | BRD4 (0.60) | — | |
| SCHEMBL7921005 | 0.62 | ACHE (0.33) | KDM4EALDH1A1 | |
| SCHEMBL22912301 | 0.62 | — | — | |
| SCHEMBL8400882 | 0.61 | NOTUM (0.40) | CA2CA1ENPP2LPLLIPG | |
| SCHEMBL21305454 | 0.60 | ESR1 (0.44) | — | |
| SCHEMBL22754335 | 0.59 | DAO (0.31) | — | |
| SCHEMBL3738393 | 0.59 | ENPP2 (0.42) | CA2CA1ENPP2LPLLIPG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023280283-A1 | COMPOUND USED AS SHP2 INHIBITOR AND USE THEREOF | 浙江同源康医药股份有限公司 | 2023-01-12 | — | — | WO | disclosed |