Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | 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 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL8085035 | 0.91 | ALDH1A1 (0.38) | ALDH1A1MAPTCYP3A4TDP1PTPRC | |
| SCHEMBL10698039 | 0.87 | CA9 (0.36) | ALDH1A1MAPTCYP3A4TDP1PTPRC | |
| SCHEMBL8077069 | 0.87 | ALDH1A1 (0.35) | ALDH1A1MAPTCYP3A4TDP1PTPRC | |
| SCHEMBL8084998 | 0.86 | ALDH1A1 (0.34) | ALDH1A1MAPTCYP3A4TDP1PTPRC | |
| SCHEMBL8089644 | 0.85 | MEN1 (0.34) | ALDH1A1MAPTCYP3A4TDP1PTPRC | |
| SCHEMBL8077041 | 0.84 | CA9 (0.42) | TDP1MEN1KMT2ACA1CA2 | |
| SCHEMBL8084458 | 0.84 | TDP1 (0.34) | ALDH1A1MAPTCYP3A4TDP1PTPRC | |
| SCHEMBL8085331 | 0.82 | HSD17B10 (0.38) | ALDH1A1MAPTCYP3A4TDP1PTPRC | |
| SCHEMBL8090742 | 0.82 | SMN1; SMN2 (0.41) | ALDH1A1MAPTCYP3A4TDP1MEN1 | |
| SCHEMBL7268307 | 0.82 | ALDH1A1 (0.39) | ALDH1A1MAPTCYP3A4TDP1PTPRC |
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 |
|---|---|---|---|---|---|---|---|
| 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 |