Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.30 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21052749 | 1.00 | ALDH1A1 (0.34) | ALDH1A1KDM4ETSHRCHRM1HCRTR2 | |
| SCHEMBL28431241 | 1.00 | ALDH1A1 (0.34) | ALDH1A1KDM4ETSHRCHRM1HCRTR2 | |
| SCHEMBL23455095 | 0.92 | HCRTR2 (0.36) | ALDH1A1CHRM1HCRTR2NLRP3 | |
| SCHEMBL21052694 | 0.92 | HCRTR2 (0.36) | ALDH1A1CHRM1HCRTR2NLRP3 | |
| SCHEMBL21054669 | 0.88 | ALDH1A1 (0.34) | ALDH1A1KDM4ETSHR | |
| SCHEMBL21053552 | 0.88 | ALDH1A1 (0.34) | ALDH1A1KDM4ETSHR | |
| SCHEMBL23455038 | 0.88 | CYP1A2 (0.35) | IDO1 | |
| SCHEMBL23454789 | 0.88 | CYP1A2 (0.35) | IDO1 | |
| SCHEMBL23455039 | 0.88 | CYP1A2 (0.35) | IDO1 | |
| SCHEMBL23454788 | 0.88 | CYP1A2 (0.35) | IDO1 |
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-111479812-A | dopamine-B-hydroxylase inhibitors | 巴尔-波特拉及康邦亚股份有限公司 | 2020-07-31 | — | — | CN | disclosed |