Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 2/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL5592149 | 0.83 | OPRL1 (0.46) | ALDH1A1POLBKMT2AOPRL1DRD2 | |
| SCHEMBL10215060 | 0.79 | ALDH1A1 (0.43) | ALDH1A1POLBKMT2ADHFRSOS1 | |
| SCHEMBL27601321 | 0.72 | PARP1 (0.34) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL9741614 | 0.71 | HRH3 (0.39) | ALDH1A1POLBKMT2A | |
| SCHEMBL10368270 | 0.70 | PTPN11 (0.34) | ALDH1A1 | |
| SCHEMBL10695834 | 0.70 | ALDH1A1 (0.43) | ALDH1A1KMT2A | |
| SCHEMBL6284645 | 0.70 | ALDH1A1 (0.41) | ALDH1A1POLBLMNAHTTSMN1; SMN2 | |
| SCHEMBL23022890 | 0.69 | CACNA1G (0.41) | KMT2AHTTDRD2 | |
| SCHEMBL518379 | 0.67 | ALDH1A1 (0.44) | ALDH1A1POLBDHFRSOS1 | |
| SCHEMBL3298354 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0207913-B1 | CATECHOL CARBOXAMIDES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION | Astra Läkemedel Aktiebolag (SE) | 1990-10-31 | — | — | EP | disclosed |