Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | ALPL | P05186 | 2/20 | 0.31 |
| ▸ | ALPI | P09923 | 2/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL27076937 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HSP90AA1HSP90AB1GRM4KDM4E | |
| SCHEMBL27330869 | 0.81 | GRM4 (0.57) | ALDH1A1HSP90AA1HSP90AB1GRM4KDM4E | |
| SCHEMBL8788157 | 0.79 | HSP90AA1 (0.52) | ALDH1A1HSP90AA1HSP90AB1GRM4KDM4E | |
| SCHEMBL29155479 | 0.79 | CCR1 (0.39) | ALDH1A1 | |
| SCHEMBL28664997 | 0.77 | NT5E (0.38) | ALDH1A1HSP90AA1HSP90AB1GRM4KDM4E | |
| SCHEMBL23536720 | 0.73 | ALDH1A1 (0.38) | ALDH1A1HSP90AA1HSP90AB1GRM4KDM4E | |
| SCHEMBL16516311 | 0.73 | ALPI (0.37) | ALDH1A1HSP90AA1HSP90AB1KDM4EHSD17B10 | |
| SCHEMBL23608618 | 0.73 | HSP90AA1 (0.47) | ALDH1A1HSP90AA1HSP90AB1GRM4KDM4E | |
| SCHEMBL29883397 | 0.71 | HSP90AA1 (0.45) | ALDH1A1HSP90AA1HSP90AB1GRM4KDM4E | |
| SCHEMBL23580669 | 0.71 | HSP90AA1 (0.45) | ALDH1A1HSP90AA1HSP90AB1GRM4KDM4E |
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-117098764-A | Tetrahydrothienopyridine derivatives as DDR inhibitors | 奇斯药制品公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-117062812-A | Indoline derivatives as DDR inhibitors | 奇斯药制品公司 | 2023-11-14 | — | — | CN | disclosed |