Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 2/20 | 0.57 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | CCR2 | P41597 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL25740939 | 0.91 | KDM4E (0.60) | KDM4EHTTSIGMAR1ALDH1A1GLA | |
| SCHEMBL12013921 | 0.91 | ACHE (0.70) | KDM4EHTTSIGMAR1ALDH1A1GLA | |
| SCHEMBL359069 | 0.84 | ACHE (0.79) | SIGMAR1ALDH1A1ACHEHRH3DRD2 | |
| SCHEMBL358435 | 0.84 | ACHE (0.79) | SIGMAR1ALDH1A1ACHEHRH3DRD2 | |
| SCHEMBL1286699 | 0.84 | ACHE (0.79) | SIGMAR1ALDH1A1ACHEHRH3DRD2 | |
| SCHEMBL20232771 | 0.82 | HRH3 (0.61) | KDM4ESIGMAR1ALDH1A1GAAACHE | |
| SCHEMBL25456999 | 0.82 | ACHE (0.53) | SIGMAR1ALDH1A1ACHEMEN1KMT2A | |
| SCHEMBL10998601 | 0.82 | ACHE (0.53) | ACHEHRH3ROCK2CCR2ROCK1 | |
| SCHEMBL10367872 | 0.82 | ACHE (0.53) | SIGMAR1ALDH1A1ACHEMEN1KMT2A | |
| SCHEMBL9846527 | 0.82 | ACHE (0.53) | ACHEHRH3ROCK2CCR2ROCK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3856735-B1 | FUSED BICYCLIC HETEROCYCLES AS THERAPEUTIC AGENTS | UNIV NEW YORK (US) | 2023-09-06 | — | — | EP | disclosed |
| WO-2018102419-A1 | COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS | Epizyme, Inc. (US) | 2018-06-07 | — | — | WO | disclosed |