Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8663984 | 0.88 | SLC9A1 (0.39) | SLC9A1VCAM1MAPTCA1CA2 | |
| SCHEMBL8573035 | 0.87 | CA2 (0.38) | VCAM1MAPTCA1CA2CA5A | |
| SCHEMBL8582519 | 0.87 | CA2 (0.48) | ALDH1A1CA1CA2CA5ACA9 | |
| SCHEMBL8576545 | 0.85 | GAA (0.46) | ALDH1A1MAPTKDM4ESMN1; SMN2GAA | |
| SCHEMBL8576682 | 0.84 | MAPT (0.39) | ALDH1A1VCAM1MAPTCA1CA2 | |
| SCHEMBL8575134 | 0.83 | ALDH1A1 (0.39) | ALDH1A1SLC9A1CA1CA2CA5A | |
| SCHEMBL8580625 | 0.81 | SLC9A1 (0.45) | ALDH1A1SLC9A1VCAM1MAPTCA1 | |
| SCHEMBL8611097 | 0.80 | SLC9A1 (0.48) | ALDH1A1SLC9A1MAPTCA1CA2 | |
| SCHEMBL8573449 | 0.80 | CA2 (0.41) | ALDH1A1SLC9A1VCAM1MAPTCA1 | |
| SCHEMBL13259196 | 0.79 | GAA (0.44) | ALDH1A1MAPTCA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5849796-A | Ortho-substituted benzoil acid derivatives | MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-12-15 | — | — | US | disclosed |