Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GPR183 | P32249 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | STS | P08842 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29723003 | 0.85 | ESR2 (0.51) | MAPK1 | |
| SCHEMBL21591662 | 0.85 | HDAC1 (0.43) | KMT2ANPC1GPR183MEN1ALDH1A1 | |
| SCHEMBL23301570 | 0.81 | ESR2 (0.54) | MAPK1 | |
| SCHEMBL29712337 | 0.81 | ESR2 (0.54) | MAPK1 | |
| SCHEMBL29077472 | 0.78 | KMT2A (0.34) | KMT2ANPC1GPR183MEN1KDM4E | |
| SCHEMBL28675076 | 0.78 | TMEM97 (0.43) | KMT2ANPC1GPR183HRH3ALDH1A1 | |
| SCHEMBL6282952 | 0.78 | HSP90AA1 (0.40) | HSP90AA1HSP90B1 | |
| SCHEMBL17242052 | 0.76 | USP30 (0.36) | — | |
| SCHEMBL29155326 | 0.76 | ESR2 (0.43) | KMT2ANPC1GPR183ALDH1A1HSD17B10 | |
| SCHEMBL3441436 | 0.72 | HDAC6 (0.39) | KMT2ANPC1ALDH1A1HPGD |
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-114621230-B | Nitrogen-containing heterocyclic compound, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-06-16 | — | — | CN | disclosed |
| CN-114621230-A | Nitrogen-containing heterocyclic compound, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-06-14 | — | — | CN | disclosed |