Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 3/20 | 0.34 |
| ▸ | S100A4 | P26447 | 2/20 | 0.34 |
| ▸ | CASP3 | P42574 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP4 | P49662 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | CASP9 | P55211 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8085303 | 0.92 | CHRM2 (0.34) | ALDH1A1CYP3A4TDP1CHEK1PIM1 | |
| SCHEMBL8090154 | 0.90 | TDP1 (0.34) | ALDH1A1CYP3A4TDP1CHEK1PIM1 | |
| SCHEMBL8085433 | 0.88 | PDE4A (0.40) | MALT1ABCC9 | |
| SCHEMBL8085338 | 0.88 | KMT2A (0.38) | ALDH1A1CYP3A4TDP1PTPRCS100A4 | |
| SCHEMBL8085331 | 0.87 | HSD17B10 (0.38) | ALDH1A1CYP3A4TDP1PTPRCS100A4 | |
| SCHEMBL8090476 | 0.85 | SMN1; SMN2 (0.38) | ALDH1A1CYP3A4TDP1MEN1KMT2A | |
| SCHEMBL7292134 | 0.85 | MAPT (0.35) | — | |
| SCHEMBL8085257 | 0.85 | MEN1 (0.34) | ALDH1A1CYP3A4TDP1CHEK1PIM1 | |
| SCHEMBL8085225 | 0.84 | TDP1 (0.36) | ALDH1A1CYP3A4TDP1CHEK1PIM1 | |
| SCHEMBL8085035 | 0.84 | ALDH1A1 (0.38) | ALDH1A1CYP3A4TDP1PTPRCS100A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153627-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-11-28 | — | — | US | disclosed |
| US-6040308-A | Chroman derivatives | MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-03-21 | — | — | US | disclosed |
| US-5387587-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-07 | — | — | US | disclosed |
| EP-0273262-A2 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1988-07-06 | — | — | EP | disclosed |