Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.44 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | LAP3 | P28838 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | CPA1 | P15085 | 2/20 | 0.41 |
| ▸ | CPA3 | P15088 | 2/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | CPB1 | P15086 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7424666 | 1.00 | CYP1A2 (0.46) | CYP1A2PPARGPPARASRRALPI | |
| SCHEMBL5281056 | 0.83 | ALDH1A1 (0.38) | ALDH1A1KDM4EMEN1POLBCYP2C9 | |
| SCHEMBL5281059 | 0.83 | ALDH1A1 (0.38) | ALDH1A1KDM4EMEN1POLBCYP2C9 | |
| SCHEMBL7743182 | 0.82 | CYP1A2 (0.41) | CYP1A2PPARGPPARASRRALPI | |
| SCHEMBL7743185 | 0.82 | CYP1A2 (0.41) | CYP1A2PPARGPPARASRRALPI | |
| SCHEMBL3248704 | 0.81 | CYP1A2 (0.50) | CYP1A2PPARGPPARASRRALPI | |
| SCHEMBL472008 | 0.81 | CYP1A2 (0.50) | CYP1A2PPARGPPARASRRALPI | |
| SCHEMBL3963076 | 0.81 | KMT2A (0.45) | CYP1A2ALDH1A1MEN1POLBCYP2C9 | |
| SCHEMBL7421113 | 0.80 | CPA1 (0.43) | CYP1A2PPARGPPARASRRALPI | |
| SCHEMBL7421118 | 0.80 | CPA1 (0.43) | CYP1A2PPARGPPARASRRALPI |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001012183-A1 | HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2001-02-22 | — | — | WO | disclosed |