Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.38 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.38 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.34 |
| ▸ | CDK9 | P50750 | 7/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30599063 | 0.91 | MAPK1 (0.44) | MAPK1CCNT1MAPK3TAOK1PRKD2 | |
| SCHEMBL30599064 | 0.91 | MAPK1 (0.44) | MAPK1CCNT1MAPK3TAOK1PRKD2 | |
| SCHEMBL31167636 | 0.69 | MAPK1 (0.61) | MAPK1CCNT1MAPK3TAOK1PRKD2 | |
| SCHEMBL31167639 | 0.69 | MAPK1 (0.61) | MAPK1CCNT1MAPK3TAOK1PRKD2 | |
| SCHEMBL31167643 | 0.65 | MAPK1 (0.37) | MAPK1CCNT1MAPK3TAOK1PRKD2 | |
| SCHEMBL29908769 | 0.65 | MAPK1 (0.44) | MAPK1CCNT1MAPK3TAOK1PRKD2 | |
| SCHEMBL31318121 | 0.64 | MAPK1 (0.47) | MAPK1CCNT1MAPK3TAOK1PRKD2 | |
| SCHEMBL23203337 | 0.62 | CCNT1 (0.54) | CCNT1CDK9 | |
| SCHEMBL23203339 | 0.62 | CDK9 (0.53) | CCNT1CDK9 | |
| SCHEMBL30599066 | 0.61 | MAPK1 (0.63) | MAPK1CCNT1MAPK3TAOK1PRKD2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118765276-A | Deuterated compound, preparation method and application thereof | 甘李药业股份有限公司 | 2024-10-11 | — | — | CN | disclosed |