Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | NEK2 | P51955 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29123000 | 1.00 | HRH3 (0.38) | HRH3PARP1SMN1; SMN2CA1CA2 | |
| SCHEMBL12748285 | 0.88 | BACE1 (0.42) | HRH3PARP1SMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL26087338 | 0.84 | SMN1; SMN2 (0.32) | PARP1SMN1; SMN2 | |
| SCHEMBL29341383 | 0.84 | CYP3A4 (0.40) | HRH3ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL30676372 | 0.84 | CYP3A4 (0.40) | HRH3ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL20511922 | 0.82 | CA1 (0.36) | PARP1SMN1; SMN2CA1CA2CA4 | |
| SCHEMBL23594972 | 0.81 | USP30 (0.42) | HRH3BACE1HDAC1HDAC8HDAC6 | |
| SCHEMBL30676645 | 0.81 | USP30 (0.42) | HRH3BACE1HDAC1HDAC8HDAC6 | |
| SCHEMBL29341181 | 0.81 | S100A4 (0.38) | PARP1CA1CA2CA4CA7 | |
| SCHEMBL2802804 | 0.80 | HRH3 (0.55) | HRH3DDB1CRBNALDH1A1TDP1 |
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-117120419-A | KLK5 bicyclic heteroaromatic inhibitors | 拜奥克里斯特制药公司 | 2023-11-24 | — | — | CN | disclosed |