Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 6/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22116894 | 0.88 | EGLN1 (0.42) | ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL22134775 | 0.83 | EGLN1 (0.39) | ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL22116709 | 0.82 | KDM4E (0.40) | ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL22134670 | 0.82 | ALDH1A1 (0.43) | ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL25037889 | 0.81 | SLC16A3 (0.54) | SLC16A3 | |
| SCHEMBL22116752 | 0.81 | MAPK1 (0.47) | ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL22134654 | 0.79 | HDAC1 (0.46) | ALDH1A1KDM4E | |
| SCHEMBL14720682 | 0.77 | APP (0.42) | ALDH1A1EGLN1 | |
| SCHEMBL14721211 | 0.76 | APP (0.46) | EGLN1 | |
| SCHEMBL22116791 | 0.75 | MAPT (0.54) | ALDH1A1HSD17B10KDM4EHPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3898588-B1 | DISUBSTITUTED ALKYNE DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-01-11 | — | — | EP | disclosed |