Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10401417 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPK1TDP1LMNAKDM4E | |
| SCHEMBL10401418 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPK1TDP1LMNAKDM4E | |
| SCHEMBL11412644 | 0.76 | ALDH1A1 (0.45) | ALDH1A1MAPK1TDP1CYP2D6SLC1A3 | |
| SCHEMBL3291409 | 0.69 | ALDH1A1 (0.68) | ALDH1A1MAPK1TDP1SLC1A3SLC1A2 | |
| SCHEMBL27339550 | 0.68 | — | — | |
| SCHEMBL9517517 | 0.67 | NPC1 (0.46) | ALDH1A1MAPK1TDP1KDM4EMEN1 | |
| SCHEMBL9464386 | 0.67 | NPC1 (0.46) | ALDH1A1MAPK1TDP1KDM4EMEN1 | |
| SCHEMBL2901990 | 0.67 | ALDH1A1 (0.44) | ALDH1A1MAPK1TDP1CYP2D6SLC1A3 | |
| SCHEMBL10401106 | 0.67 | NPC1 (0.46) | ALDH1A1MAPK1TDP1KDM4EMEN1 | |
| SCHEMBL604255 | 0.67 | ALDH1A1 (0.55) | ALDH1A1MAPK1TDP1CYP2D6SLC1A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0294668-B1 | (2-CYANO-2-OXIMINOACETYL)-AMINO ACID DERIVATIVES | BAYER AG (DE) | 1993-04-07 | — | — | EP | disclosed |
| EP-0294668-A2 | (2-cyano-2-oximinoacetyl)-amino acid derivatives | BAYER AG (DE) | 1988-12-14 | — | — | EP | disclosed |