Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866419 | 0.90 | APP (0.44) | APPALDH1A3GFERPDE10ATLR9 | |
| SCHEMBL8866254 | 0.87 | APP (0.39) | APPALDH1A3PDE10ATLR9CHRM4 | |
| SCHEMBL8867328 | 0.84 | ITGB3 (0.43) | GFERPDE10ATLR9CHRM4SMN1; SMN2 | |
| SCHEMBL8866087 | 0.84 | GFER (0.41) | ALDH1A3GFERPDE10ATLR9CHRM4 | |
| SCHEMBL8866564 | 0.82 | CHRM4 (0.46) | ALDH1A3GFERCHRM4GCGR | |
| SCHEMBL8867371 | 0.81 | APP (0.40) | APPALDH1A3PDE10ATLR9CHRM4 | |
| SCHEMBL8866150 | 0.81 | ALDH1A3 (0.52) | APPALDH1A3GFERPDE10ATLR9 | |
| Bromide SCHEMBL8866486 | 0.80 | ALDH1A3 (0.51) | APPALDH1A3GFERPDE10ATLR9 | |
| SCHEMBL8866770 | 0.80 | EGLN1 (0.47) | ALDH1A3CHRM4SMN1; SMN2ALDH1A1HDAC1 | |
| SCHEMBL8866999 | 0.76 | KCNA5 (0.44) | ALDH1A3CHRM4ALDH1A1HRH3 |
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-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |
| EP-0668278-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1995-08-23 | — | — | EP | disclosed |