Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9464386 | 1.00 | NPC1 (0.46) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10401106 | 1.00 | NPC1 (0.46) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10401417 | 0.87 | ALDH1A1 (0.46) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10401418 | 0.87 | ALDH1A1 (0.46) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL20569697 | 0.82 | ALDH1A1 (0.46) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL20569698 | 0.82 | ALDH1A1 (0.46) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL11503812 | 0.79 | NPC1 (0.43) | NPC1RAB9AL3MBTL1SMN1; SMN2KMT2A | |
| SCHEMBL11503990 | 0.77 | SMN1; SMN2 (0.47) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5597204 | 0.77 | ALDH1A1 (0.47) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9599178 | 0.74 | CTSL (0.43) | NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1 |
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-0294667-B1 | (2-CYANO-2-OXIMINOACETYL)-AMINO ACID DERIVATIVES | BAYER AG (DE) | 1993-03-17 | — | — | EP | disclosed |
| EP-0294667-A2 | (2-cyano-2-oximinoacetyl)-amino acid derivatives | BAYER AG (DE) | 1988-12-14 | — | — | EP | disclosed |