Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL15904101 | 1.00 | KMT2A (0.41) | KMT2AHSP90AB1ABCB1CYP1A2CYP2C9 | |
| SCHEMBL22055448 | 0.84 | HSP90AB1 (0.46) | KMT2AHSP90AB1ABCB1HSP90AA1LMNA | |
| SCHEMBL11191903 | 0.80 | HSP90AB1 (0.40) | KMT2AHSP90AB1ABCB1CYP1A2CYP2C9 | |
| SCHEMBL11225658 | 0.80 | HSP90AB1 (0.40) | KMT2AHSP90AB1ABCB1CYP1A2CYP2C9 | |
| SCHEMBL29439810 | 0.78 | CYP1A2 (0.39) | KMT2AHSP90AB1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22715908 | 0.78 | CYP1A2 (0.39) | KMT2AHSP90AB1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6034037 | 0.78 | ABCB1 (0.46) | KMT2AHSP90AB1ABCB1CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL11429110 | 0.77 | ABCB1 (0.44) | KMT2AHSP90AB1ABCB1CYP1A2CYP2C9 | |
| SCHEMBL18893671 | 0.77 | HSP90AB1 (0.38) | KMT2AHSP90AB1ABCB1CYP1A2CYP2C9 | |
| SCHEMBL719751 | 0.77 | HSP90AB1 (0.38) | KMT2AHSP90AB1ABCB1CYP1A2CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117683033-B | Substituted alkynyl heterocyclic compounds | Capital Pharmaceutical Holdings (Beijing) Co.,Ltd. (CN) | 2026-05-26 | — | — | CN | disclosed |
| CN-113880842-B | Substituted alkynyl heterocyclic compounds | 首药控股(北京)股份有限公司 | 2025-02-25 | — | — | CN | disclosed |
| CN-113004282-B | Substituted alkynyl heterocyclic compounds | 首药控股(北京)股份有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-117683033-A | Substituted alkynyl heterocyclic compounds | 首药控股(北京)股份有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-110290808-B | 1- (4-amino-5-bromo-6- (1H-pyrazol-1-yl) pyrimidin-2-yl) -1H-pyrazol-4-ol and use thereof in the treatment of cancer | 诺华股份有限公司 | 2023-07-11 | — | — | CN | disclosed |
| WO-2022203399-A1 | ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF | 주식회사 스탠다임 | 2022-09-29 | — | — | WO | disclosed |