Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3634568 | 0.87 | TYMP (0.35) | AKR1C3 | |
| SCHEMBL15383215 | 0.87 | ALDH1A1 (0.44) | SLC18A3ALDH1A1CYP1A2 | |
| SCHEMBL15383298 | 0.85 | ALDH1A1 (0.38) | SLC18A3ALDH1A1CYP1A2 | |
| SCHEMBL22661275 | 0.82 | HTT (0.34) | ALDH1A1CHRM2CHRM1 | |
| SCHEMBL27013530 | 0.81 | CYP1A2 (0.52) | SLC18A3ALDH1A1CHRM2CHRM4CHRM5 | |
| SCHEMBL159232 | 0.80 | HTT (0.31) | — | |
| SCHEMBL17241821 | 0.79 | ALDH1A1 (0.35) | SLC18A3ALDH1A1CYP1A2 | |
| SCHEMBL19959026 | 0.79 | ALDH1A1 (0.35) | SLC18A3ALDH1A1CYP1A2 | |
| SCHEMBL13740212 | 0.79 | SIGMAR1 (0.42) | SLC18A3ALDH1A1CHRM2CHRM1CHRM3 | |
| SCHEMBL27013529 | 0.79 | CYP1A2 (0.45) | ALDH1A1CHRM2CHRM4CHRM5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023220640-A1 | CDK PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS | BIOTHERYX, INC. (US) | 2023-11-16 | — | — | WO | disclosed |
| WO-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | disclosed |
| WO-2011128394-A1 | 3-SUBSTITUTED 5-(PYRROLIDINE-1-CARBONYL) PYRROLIDINE AND ITS DERIVATIVES FOR USE IN THE TREATMENT OF METABOLIC DISORDERS | PROSIDION LIMITED (GB) | 2011-10-20 | — | — | WO | disclosed |