Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.34 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | PAK4 | O96013 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL17427757 | 0.80 | NOS3 (0.39) | ALDH1A1KDM4EKMT2AHSD17B10SMN1; SMN2 | |
| SCHEMBL5592987 | 0.79 | NOS3 (0.36) | ALDH1A1KDM4EKMT2AMEN1LMNA | |
| SCHEMBL2144297 | 0.78 | ALDH1A1 (0.33) | ALDH1A1KMT2AHTTAURKADAPK3 | |
| SCHEMBL15922497 | 0.78 | ALDH1A1 (0.33) | ALDH1A1KMT2AHTTAURKADAPK3 | |
| SCHEMBL24248614 | 0.77 | MEN1 (0.32) | ALDH1A1KDM4EKMT2AMEN1LMNA | |
| SCHEMBL14764186 | 0.77 | CNR2 (0.34) | ALDH1A1KMT2AMEN1HSD17B10SMN1; SMN2 | |
| Methyl Alcohol SCHEMBL10757708 | 0.77 | NOS3 (0.37) | ALDH1A1KDM4EKMT2AMEN1LMNA | |
| SCHEMBL15699752 | 0.76 | SMN1; SMN2 (0.36) | ALDH1A1KDM4EKMT2AHPGDHSD17B10 | |
| SCHEMBL21591653 | 0.75 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL22771018 | 0.75 | SMN1; SMN2 (0.35) | ALDH1A1KDM4EKMT2AHSD17B10SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3807270-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-04-21 | — | — | EP | disclosed |
| EP-3710435-A1 | OX1 ANTAGONISTS | Heptares Therapeutics Limited (GB) | 2020-09-23 | — | — | EP | disclosed |
| WO-2019238616-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |