Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8147867 | 0.86 | ALDH1A1 (0.53) | ALDH1A1GAAGFERCYP4F2CYP4A11 | |
| SCHEMBL14301862 | 0.84 | ALDH1A1 (0.57) | ALDH1A1GAAGFERCYP4F2CYP4A11 | |
| SCHEMBL377583 | 0.81 | CYP4F2 (0.53) | ALDH1A1GAAGFERCYP4F2CYP4A11 | |
| SCHEMBL7906379 | 0.81 | ALDH1A1 (0.51) | ALDH1A1GAAGFERCYP4F2CYP4A11 | |
| SCHEMBL8145260 | 0.81 | ALDH1A1 (0.68) | ALDH1A1GAAGFERCYP4F2CYP4A11 | |
| SCHEMBL8151837 | 0.79 | ALDH1A1 (0.66) | ALDH1A1GAAGFERCYP4F2CYP4A11 | |
| SCHEMBL2094025 | 0.79 | GAA (0.53) | ALDH1A1GAAGFERCYP4F2CYP4A11 | |
| SCHEMBL2981821 | 0.78 | ALDH1A1 (0.51) | ALDH1A1GAAGFERCYP4F2CYP4A11 | |
| SCHEMBL8146212 | 0.77 | GAA (0.63) | ALDH1A1GAAGFERCYP4F2CYP4A11 | |
| SCHEMBL12062913 | 0.77 | ALDH1A1 (0.54) | ALDH1A1GAAGFERCYP4F2CYP4A11 |
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 |