Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | GAA | P10253 | 4/20 | 0.68 |
| ▸ | GFER | P55789 | 1/20 | 0.68 |
| ▸ | EGFR | P00533 | 3/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.55 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.51 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.51 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | YWHAG | P61981 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30523630 | 0.89 | ALDH1A1 (0.59) | ALDH1A1GAAGFEREGFRHSP90AB1 | |
| SCHEMBL7046438 | 0.89 | ALDH1A1 (0.59) | ALDH1A1GAAGFEREGFRHSP90AB1 | |
| SCHEMBL22273409 | 0.88 | ALDH1A1 (0.67) | ALDH1A1GAAGFEREGFRHSP90AB1 | |
| SCHEMBL4031952 | 0.87 | ALDH1A1 (0.53) | ALDH1A1GAAGFEREGFRHSP90AB1 | |
| SCHEMBL3586640 | 0.87 | ALDH1A1 (0.60) | ALDH1A1GAAGFEREGFRHSP90AB1 | |
| SCHEMBL8146212 | 0.86 | GAA (0.63) | ALDH1A1GAAGFEREGFRHSP90AB1 | |
| SCHEMBL7042014 | 0.85 | GABRA1 (0.63) | ALDH1A1GAAGFEREGFRHSP90AB1 | |
| SCHEMBL29446278 | 0.85 | GAA (0.72) | ALDH1A1GAAGFERHSP90AB1CYP4F2 | |
| SCHEMBL3668882 | 0.85 | GAA (0.72) | ALDH1A1GAAGFERHSP90AB1CYP4F2 | |
| SCHEMBL14301862 | 0.85 | ALDH1A1 (0.57) | ALDH1A1GAAGFEREGFRHSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6028090-A | Adhesion receptor antagonists III | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |
| US-5723480-A | Adhesion receptor antagonists III | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-03-03 | — | — | US | disclosed |
| US-5561148-A | Adhesion receptor antagonists III | MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) | 1996-10-01 | — | — | US | disclosed |