Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL28932740 | 0.83 | KMT2A (0.36) | CA1CA2CA9TSHRKMT2A | |
| SCHEMBL21815478 | 0.81 | MEN1 (0.47) | CA1CA2CA9TSHRKMT2A | |
| SCHEMBL3649899 | 0.81 | MCOLN3 (0.50) | TSHRKMT2AMEN1POLBMCOLN3 | |
| SCHEMBL21812038 | 0.79 | CA1 (0.35) | CA1CA2CA9TSHRKMT2A | |
| SCHEMBL28372969 | 0.79 | CA1 (0.37) | CA1CA2CA9TSHRKMT2A | |
| SCHEMBL28541185 | 0.78 | CA1 (0.39) | CA1CA2CA9KMT2AMEN1 | |
| SCHEMBL21437037 | 0.78 | ALDH1A1 (0.37) | TSHRKMT2AMEN1POLBMAPK1 | |
| SCHEMBL20957425 | 0.77 | SMN1; SMN2 (0.40) | CA1CA2CA9TSHRKMT2A | |
| SCHEMBL28560305 | 0.77 | KMT2A (0.46) | CA1CA2CA9KMT2AMEN1 | |
| SCHEMBL11782542 | 0.76 | ALDH1A1 (0.49) | KMT2APOLBMEP1BMAPK1SMN1; SMN2 |
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-112480083-A | AZD9291 derivative containing alkynyl and preparation method and application thereof | 上海应用技术大学 | 2021-03-12 | — | — | CN | disclosed |