Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.55 |
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28514992 | 0.79 | ACHE (0.51) | ACHENCF1BRD4HTT | |
| SCHEMBL28905536 | 0.79 | ACHE (0.73) | ACHENCF1KDM4EKMT2AGLA | |
| SCHEMBL28510601 | 0.77 | ACHE (0.69) | ACHENCF1KDM4EKMT2AGLA | |
| SCHEMBL14529403 | 0.75 | ACHE (0.62) | ACHENCF1KMT2AADORA2AMEN1 | |
| SCHEMBL4143400 | 0.75 | ACHE (0.62) | ACHENCF1KDM4EKMT2AMAPT | |
| SCHEMBL28516032 | 0.75 | TLR8 (0.56) | ACHENCF1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL4282002 | 0.73 | HSP90AA1 (0.69) | KDM4EKMT2ANCOA1NCOA3MEN1 | |
| SCHEMBL2873300 | 0.72 | ACHE (1.00) | ACHENCF1KDM4EKMT2AGLA | |
| SCHEMBL3457069 | 0.72 | ASIC3 (0.50) | NCOA1NCOA3BRD4ADORA2AELANE | |
| SCHEMBL14529195 | 0.72 | ACP1 (0.64) | ACHENCF1KDM4EKMT2AMAPT |
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-108250142-B | Amine compounds having anti-inflammatory, antifungal, antiparasitic and anticancer activity | 维尔斯达医疗公司 | 2021-01-26 | — | — | CN | disclosed |