Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 3/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 1/20 | 0.38 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 2/20 | 0.37 |
| ▸ | CKS1B | P61024 | 1/20 | 0.37 |
| ▸ | SKP1 | P63208 | 1/20 | 0.37 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.37 |
| ▸ | GLS | O94925 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24698512 | 1.00 | ROCK2 (0.43) | ROCK2BRD4CREBBPNAMPTACACB | |
| SCHEMBL30016136 | 1.00 | ROCK2 (0.43) | ROCK2BRD4CREBBPNAMPTACACB | |
| SCHEMBL24698790 | 0.88 | MTOR (0.40) | WDR5MTORTRPA1 | |
| SCHEMBL24698513 | 0.88 | ROCK2 (0.42) | ROCK2BRD4CREBBPNAMPTWDR5 | |
| SCHEMBL24699345 | 0.87 | ACACB (0.41) | NAMPTACACBACACAMTORCKS1B | |
| SCHEMBL30016077 | 0.87 | ACACB (0.41) | NAMPTACACBACACAMTORCKS1B | |
| SCHEMBL24698460 | 0.86 | TRPA1 (0.41) | WDR5MTORTRPA1 | |
| SCHEMBL24699420 | 0.85 | MTOR (0.42) | WDR5MTORTRPA1 | |
| SCHEMBL24698111 | 0.85 | MTOR (0.42) | WDR5MTORTRPA1 | |
| SCHEMBL24698119 | 0.85 | TRPA1 (0.40) | WDR5MTORTRPA1 |
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-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |