Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 8/20 | 0.54 |
| ▸ | RAB9A | P51151 | 8/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | KDM5A | P29375 | 1/20 | 0.45 |
| ▸ | KDM5C | P41229 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | CLK1 | P49759 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4952379 | 0.89 | ALDH1A1 (0.55) | ALDH1A1KDM4EMEN1KMT2AHSP90AA1 | |
| SCHEMBL4951218 | 0.88 | ALDH1A1 (0.53) | ALDH1A1KDM4EMEN1KMT2AHSP90AA1 | |
| SCHEMBL2128582 | 0.84 | ALDH1A3 (0.57) | ALDH1A1KDM4EMEN1KMT2AHSP90AA1 | |
| Trifluoroacetic Acid SCHEMBL2128057 | 0.84 | ALDH1A3 (0.51) | ALDH1A1KDM4EMEN1KMT2AHSP90AA1 | |
| Acetic Acid SCHEMBL4952485 | 0.84 | ALDH1A3 (0.60) | ALDH1A1KDM4EMEN1KMT2AHSP90AA1 | |
| SCHEMBL8866329 | 0.83 | SUV39H2 (0.47) | ALDH1A1KDM4EMEN1KMT2AHSP90AA1 | |
| SCHEMBL2129032 | 0.81 | ALDH1A1 (0.73) | ALDH1A1KDM4EMEN1KMT2AHSP90AA1 | |
| SCHEMBL8866583 | 0.81 | ALDH1A1 (0.62) | ALDH1A1KDM4EMEN1KMT2AHSP90AA1 | |
| SCHEMBL9235389 | 0.81 | ALDH1A1 (0.53) | ALDH1A1KDM4EMEN1KMT2AHSP90AA1 | |
| SCHEMBL4726717 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KDM4EMEN1KMT2AHSP90AA1 |
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 |