Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3220633 | 0.76 | TSHR (0.44) | CYP2D6ALDH1A1CYP2C19HSD17B10KCNN4 | |
| SCHEMBL3223142 | 0.76 | ALDH1A1 (0.44) | CYP2D6ALDH1A1CYP2C19HSD17B10KCNN4 | |
| SCHEMBL2252922 | 0.72 | KCNN4 (0.35) | CYP2D6ALDH1A1CYP2C19HSD17B10KCNN4 | |
| SCHEMBL2478431 | 0.70 | KCNN4 (0.62) | CYP2D6ALDH1A1CYP2C19HSD17B10KCNN4 | |
| SCHEMBL3049242 | 0.70 | KCNN4 (0.43) | CYP2D6ALDH1A1CYP2C19KCNN4TAAR1 | |
| SCHEMBL2261017 | 0.69 | TSHR (0.37) | CYP2D6ALDH1A1CYP2C19HSD17B10KCNN4 | |
| SCHEMBL1552018 | 0.69 | MAPK1 (0.38) | CYP2D6ALDH1A1CYP2C19HSD17B10KCNN4 | |
| SCHEMBL9718476 | 0.69 | KCNN4 (0.37) | CYP2D6ALDH1A1CYP2C19HSD17B10KCNN4 | |
| SCHEMBL10325859 | 0.68 | CYP2D6 (0.45) | CYP2D6ALDH1A1CYP2C19HSD17B10KCNN4 | |
| SCHEMBL136467 | 0.67 | GRIN1 (0.44) | CYP2D6ALDH1A1CYP2C19HSD17B10KCNN4 |
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-107805311-B | Dynamic polymer with hybrid cross-linked network and application thereof | 翁秋梅 | 2022-04-01 | — | — | CN | disclosed |
| CN-107828205-B | Vulcanized and crosslinked foamed polyurethane rubber compound particle and preparation method and forming process thereof | 福建安达福新材料科技有限公司 | 2020-10-02 | — | — | CN | disclosed |