Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 2/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7394409 | 0.87 | TAAR1 (0.47) | CACNA1BALDH1A1KDM4EL3MBTL1CYP2D6 | |
| SCHEMBL7394405 | 0.87 | TAAR1 (0.47) | CACNA1BALDH1A1KDM4EL3MBTL1CYP2D6 | |
| Hydrochloric Acid SCHEMBL4228085 | 0.84 | PPIB (0.45) | GRIN1GRIN2AALDH1A1KDM4EL3MBTL1 | |
| Hydrochloric Acid SCHEMBL4236478 | 0.80 | NPSR1 (0.47) | CACNA1BGRIN1GRIN2AALDH1A1KDM4E | |
| SCHEMBL181573 | 0.80 | GRIN1 (0.52) | GRIN1GRIN2AKDM4EL3MBTL1CYP2D6 | |
| Hydrochloric Acid SCHEMBL4226515 | 0.79 | ALDH1A1 (0.55) | GRIN1GRIN2AALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL30982190 | 0.78 | KMT2A (0.53) | CACNA1BKDM4EKMT2AMEN1SLC6A3 | |
| SCHEMBL31477970 | 0.77 | KMT2A (0.52) | GRIN1GRIN2AALDH1A1L3MBTL1KMT2A | |
| SCHEMBL7310631 | 0.77 | BCAT2 (0.49) | GRIN1GRIN2AALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL7391860 | 0.76 | APAF1 (0.56) | ALDH1A1KDM4ECYP2D6KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024153595-A1 | CHROMANE DERIVATIVES AS EGFR SELECTIVE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2024-07-25 | — | — | WO | disclosed |