Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.44 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7462075 | 0.87 | TDP1 (0.53) | TDP1ALDH1A1SIRT6ARPDGFRB | |
| SCHEMBL28255788 | 0.85 | MEN1 (0.57) | TDP1CYP1A2CYP2C9ALDH1A1KDM4E | |
| SCHEMBL22749334 | 0.84 | CYP1A2 (0.45) | CYP1A2CYP2C9ALDH1A1KDM4EAR | |
| SCHEMBL100516 | 0.82 | TDP1 (0.53) | TDP1ALDH1A1SIRT6ARPDGFRB | |
| SCHEMBL4255397 | 0.82 | TDP1 (0.55) | TDP1CYP1A2CYP2C9ALDH1A1SIRT6 | |
| SCHEMBL268658 | 0.82 | TDP1 (0.55) | TDP1CYP1A2CYP2C9ALDH1A1KDM4E | |
| SCHEMBL11023426 | 0.81 | TDP1 (0.58) | TDP1ALDH1A1SIRT6MEN1KMT2A | |
| SCHEMBL10784720 | 0.81 | TDP1 (0.70) | TDP1CYP1A2CYP2C9ALDH1A1KDM4E | |
| SCHEMBL268414 | 0.81 | TDP1 (0.62) | TDP1CYP1A2CYP2C9ALDH1A1KDM4E | |
| SCHEMBL267907 | 0.81 | TDP1 (0.57) | TDP1CYP1A2CYP2C9ALDH1A1KDM4E |
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-108929263-B | Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-07-22 | — | — | CN | disclosed |
| CN-111108092-A | Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-05-05 | — | — | CN | disclosed |
| CN-108929263-A | Aryl amide Kv2.1 inhibitor and preparation method thereof, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2018-12-04 | — | — | CN | disclosed |