Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL22199027 | 0.79 | CYP2E1 (0.50) | CYP2E1CYP2A6EGLN2PSEN1PSEN2 | |
| SCHEMBL17555719 | 0.79 | NOS3 (0.46) | CYP2E1CYP2A6EGLN2NOS3NOS2 | |
| SCHEMBL27819262 | 0.79 | GAA (0.48) | CYP2E1CYP2A6EGLN2NR2E1PSEN1 | |
| SCHEMBL12886318 | 0.76 | CYP2E1 (0.42) | CYP2E1CYP2A6EGLN2NR2E1PSEN1 | |
| SCHEMBL909404 | 0.76 | PSEN1 (0.40) | CYP2E1CYP2A6EGLN2NOS3NOS2 | |
| SCHEMBL909015 | 0.75 | PSEN1 (0.43) | CYP2E1CYP2A6EGLN2NR2E1PSEN1 | |
| SCHEMBL29949085 | 0.74 | MAP3K5 (0.41) | NOS3NOS2NOS1 | |
| SCHEMBL15633080 | 0.74 | CYP2E1 (0.47) | CYP2E1CYP2A6EGLN2PSEN1PSEN2 | |
| SCHEMBL16302917 | 0.74 | GAA (0.50) | NOS3NOS2NOS1AMY1AKDM4E | |
| SCHEMBL27927385 | 0.72 | HSP90AA1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112218857-B | P300/CBP HAT inhibitors and methods of use thereof | 星座制药公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-114450005-A | Compounds for the treatment of neurological disorders | 星座制药公司 | 2022-05-06 | — | — | CN | disclosed |