Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | HTR5A | P47898 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL21662876 | 0.81 | ALDH1A1 (0.47) | PDK2PDK4HTR5AALDH1A1CYP3A4 | |
| SCHEMBL18403613 | 0.80 | PDK2 (0.43) | PDK2PDK4HTR5AATMGAA | |
| SCHEMBL14501652 | 0.80 | PDK2 (0.59) | PDK2PDK4HTR5AGAAALDH1A1 | |
| SCHEMBL25365206 | 0.80 | PDK2 (0.44) | PDK2PDK4HTR5AGAAALDH1A1 | |
| SCHEMBL10061698 | 0.80 | PDK2 (0.44) | PDK2PDK4HTR5AGAAALDH1A1 | |
| SCHEMBL16369712 | 0.75 | PDK2 (0.43) | PDK2PDK4HTR5AGAAALDH1A1 | |
| SCHEMBL9791466 | 0.75 | PDK2 (0.43) | PDK2PDK4HTR5AATMGAA | |
| SCHEMBL23260321 | 0.72 | PDK2 (0.41) | PDK2PDK4HTR5AATMALDH1A1 | |
| SCHEMBL15468271 | 0.72 | PDK2 (0.41) | PDK2PDK4HTR5AATMGAA | |
| SCHEMBL24166676 | 0.72 | ATM (0.42) | PDK2PDK4HTR5AATMGAA |
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-119403554-A | Therapeutic or prophylactic agent for amyotrophic lateral sclerosis | 东丽株式会社 | 2025-02-07 | — | — | CN | disclosed |
| CN-116648245-A | Tetrahydroquinoline derivative and medical application thereof | 东丽株式会社 | 2023-08-25 | — | — | CN | disclosed |
| EP-3880666-B1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2023-06-28 | — | — | EP | disclosed |
| WO-2020102100-A9 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS AG (CH) | 2022-01-06 | — | — | WO | disclosed |
| WO-2020102100-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |
| WO-2020102574-A1 | THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |