Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30416847 | 0.84 | ALDH1A1 (0.46) | ALDH1A1KDM4EHDAC6CASP1CYP1A2 | |
| SCHEMBL30416506 | 0.81 | POLB (0.54) | ALDH1A1KDM4EHSD17B10SMN1; SMN2AOC3 | |
| SCHEMBL30416389 | 0.81 | KDM4E (0.48) | ALDH1A1KDM4EHDAC6CASP1CYP1A2 | |
| SCHEMBL25419798 | 0.79 | CHRNB2 (0.51) | ALDH1A1KDM4ECHRNB2CHRNA4TAAR1 | |
| Hydrochloric Acid SCHEMBL30422704 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KDM4ECHRNB2CHRNA4TAAR1 | |
| SCHEMBL5042063 | 0.76 | HDAC3 (0.51) | CHRNB2CHRNA4PRKD3PRKD1PRKD2 | |
| Hydrochloric Acid SCHEMBL22371664 | 0.76 | KDM4E (0.44) | ALDH1A1KDM4ECHRNB2CHRNA4TAAR1 | |
| SCHEMBL16432179 | 0.75 | ADRB1 (0.54) | ALDH1A1KDM4ESRCPRKD3PRKD1 | |
| Hydrochloric Acid SCHEMBL4426185 | 0.75 | HDAC3 (0.50) | CHRNB2CHRNA4PRKD3PRKD1PRKD2 | |
| SCHEMBL30416836 | 0.75 | AOC3 (0.43) | HDAC6SYKAOC3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118598858-A | Multifunctional compound, composition and application of degradable BTK kinase | 杭州和正医药有限公司 | 2024-09-06 | — | — | CN | disclosed |
| CN-116143757-B | Multifunctional compound, composition and application of degradable BTK kinase | 杭州和正医药有限公司 | 2024-07-05 | — | — | CN | disclosed |
| CN-116143757-A | Multifunctional compound, composition and application of degradable BTK kinase | 杭州和正医药有限公司 | 2023-05-23 | — | — | CN | disclosed |