Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | CASP4 | P49662 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | CASP9 | P55211 | 2/20 | 0.41 |
| ▸ | CASP6 | P55212 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8017167 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ALMNACYP1A2 | |
| SCHEMBL6325583 | 0.93 | CASP1 (0.44) | ALDH1A1LMNAMAPTSNCACASP1 | |
| SCHEMBL6325589 | 0.93 | CASP1 (0.44) | ALDH1A1LMNAMAPTSNCACASP1 | |
| SCHEMBL6328679 | 0.90 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL6328682 | 0.90 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL6321810 | 0.90 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ALMNAPAX8 | |
| SCHEMBL6321814 | 0.90 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ALMNAPAX8 | |
| SCHEMBL8010160 | 0.88 | MEN1 (0.44) | ALDH1A1MEN1KMT2ALMNACYP1A2 | |
| SCHEMBL8010164 | 0.88 | MEN1 (0.44) | ALDH1A1MEN1KMT2ALMNACYP1A2 | |
| SCHEMBL6327330 | 0.87 | SNCA (0.52) | ALDH1A1MEN1KMT2ALMNAPAX8 |
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 |
|---|---|---|---|---|---|---|---|
| US-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | disclosed |