Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.62 |
| ▸ | ALDH1A3 | P47895 | 7/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 8/20 | 0.48 |
| ▸ | RAB9A | P51151 | 8/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | KDM5A | P29375 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8867230 | 0.99 | APP (0.61) | APPALDH1A3ALDH1A1KDM4EMEN1 | |
| SCHEMBL2127570 | 0.92 | ALDH1A3 (0.65) | APPALDH1A3ALDH1A1KDM4EMEN1 | |
| Bromide SCHEMBL8866701 | 0.91 | ALDH1A3 (0.64) | APPALDH1A3ALDH1A1KDM4EMEN1 | |
| SCHEMBL4952001 | 0.84 | ALDH1A3 (0.78) | APPALDH1A3ALDH1A1KDM4EMEN1 | |
| SCHEMBL5301325 | 0.83 | ALDH1A3 (0.86) | APPALDH1A3ALDH1A1KDM4EMEN1 | |
| SCHEMBL14046613 | 0.83 | ALDH1A3 (0.81) | APPALDH1A3ALDH1A1KDM4EMEN1 | |
| SCHEMBL8866225 | 0.82 | ALDH1A3 (0.49) | APPALDH1A3ALDH1A1KDM4EMEN1 | |
| SCHEMBL2128252 | 0.81 | APP (0.74) | APPALDH1A3ALDH1A1KDM4EMEN1 | |
| Bromide SCHEMBL8867379 | 0.81 | ALDH1A3 (0.48) | APPALDH1A3ALDH1A1KDM4EMEN1 | |
| SCHEMBL4952240 | 0.80 | APP (0.68) | APPALDH1A3ALDH1A1KDM4EMEN1 |
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 |