Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28257389 | 0.86 | ALDH1A1 (0.52) | CYP2C9CYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL1098123 | 0.82 | CYP2C9 (0.73) | CYP2C9CYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL28255789 | 0.81 | CYP1A2 (0.60) | CYP2C9CYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL30660469 | 0.81 | KDM4E (0.57) | CYP2C9CYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL8227206 | 0.80 | CYP2C9 (0.55) | CYP2C9CYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL3909475 | 0.79 | CA12 (0.57) | CYP2C9CYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL8232877 | 0.78 | CYP2C9 (0.54) | CYP2C9CYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL22749456 | 0.78 | CFTR (0.62) | CYP2C9CYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL21434731 | 0.78 | CYP1A2 (0.53) | CYP2C9CYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL28403261 | 0.76 | TDP1 (0.53) | CYP2C9CYP1A2ALDH1A1KDM4EPOLB |
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 |