Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.58 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.58 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.57 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9543465 | 0.98 | CHRM2 (0.69) | CHRM2ALDH1A1KDM4ES1PR1S1PR3 | |
| SCHEMBL16296132 | 0.94 | CHRM2 (0.66) | CHRM2ALDH1A1KDM4ES1PR1S1PR3 | |
| SCHEMBL3214390 | 0.88 | MEN1 (0.64) | CHRM2ALDH1A1KDM4ES1PR1MEN1 | |
| SCHEMBL9487686 | 0.87 | MEN1 (0.60) | CHRM2ALDH1A1S1PR1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3509247 | 0.85 | CHRM2 (0.67) | CHRM2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL22839742 | 0.84 | CHRM2 (0.92) | CHRM2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL6122198 | 0.82 | CHRM2 (0.62) | CHRM2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL27892101 | 0.82 | ALDH1A1 (0.71) | ALDH1A1MEN1KMT2A | |
| SCHEMBL16374750 | 0.81 | ALDH1A1 (0.69) | CHRM2ALDH1A1S1PR1S1PR3S1PR2 | |
| SCHEMBL7204842 | 0.81 | HDAC3 (0.73) | CHRM2ALDH1A1S1PR1S1PR3MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3988098-A1 | HETEROCYCLO ALKYL COMPOUNDS USED AS CCR2/CCR5 ANTAGONIST | Shenzhen Lingfang Biotech Co., Ltd (CN) | 2022-04-27 | — | — | EP | disclosed |