Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.51 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL329891 | 1.00 | HRH3 (0.63) | HRH3ALDH1A1KDM4ENPC1CA12 | |
| Hydrochloric Acid SCHEMBL31014160 | 0.99 | HRH3 (0.62) | HRH3ALDH1A1KDM4ENPC1CA12 | |
| SCHEMBL329515 | 0.93 | HRH3 (0.73) | HRH3ALDH1A1KDM4EHTR2AKCNH2 | |
| Hydrochloric Acid SCHEMBL31014123 | 0.84 | MEN1 (0.57) | HRH3ALDH1A1KDM4ENPC1RAB9A | |
| Hydrochloric Acid SCHEMBL31070047 | 0.82 | KDM4E (0.62) | HRH3ALDH1A1KDM4ENPC1CA12 | |
| Hydrochloric Acid SCHEMBL28433084 | 0.82 | KDM4E (0.62) | HRH3ALDH1A1KDM4ENPC1CA12 | |
| SCHEMBL585363 | 0.81 | ALDH1A1 (0.60) | HRH3ALDH1A1KDM4ENPC1CA12 | |
| SCHEMBL14232256 | 0.79 | SMN1; SMN2 (0.49) | HRH3ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL4317469 | 0.78 | HRH3 (0.60) | HRH3ALDH1A1KDM4ENPC1CA12 | |
| SCHEMBL16519538 | 0.78 | AURKA (0.59) | HRH3ALDH1A1KDM4ENPC1CA12 |
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 |