Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.39 |
| ▸ | EIF2AK4 | Q9P2K8 | 10/20 | 0.37 |
| ▸ | NAMPT | P43490 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29640835 | 0.85 | ADORA2A (0.38) | TRPV3NAMPTCYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL29640818 | 0.82 | ROCK1 (0.35) | CYP1A2KDM4EALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL29640772 | 0.81 | CYP1A2 (0.39) | NAMPTCYP1A2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL29640770 | 0.80 | ROCK2 (0.47) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL29627931 | 0.69 | TRPV1 (0.39) | TRPV3NAMPTCYP1A2KDM4EALDH1A1 | |
| SCHEMBL28242133 | 0.62 | MPL (0.54) | — | |
| SCHEMBL4659183 | 0.62 | KIF11 (0.61) | CYP2D6 | |
| SCHEMBL28174574 | 0.61 | MPL (0.42) | CYP3A4CYP2C9 | |
| SCHEMBL14937596 | 0.61 | ALDH1A1 (0.40) | TRPV3NAMPTCYP1A2ALDH1A1 | |
| SCHEMBL27415783 | 0.61 | KMO (0.55) | KDM4EALDH1A1 |
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-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |