Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.31 |
| ▸ | RAF1 | P04049 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL699400 | 0.81 | RAPGEF4 (0.43) | ABCB1RAPGEF4RAF1HPGD | |
| SCHEMBL699401 | 0.81 | RAPGEF4 (0.43) | ABCB1RAPGEF4RAF1HPGD | |
| Ammonia Solution, Strong SCHEMBL1984066 | 0.78 | RAPGEF4 (0.41) | ABCB1RAPGEF4RAF1HPGD | |
| SCHEMBL20054839 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL26201193 | 0.72 | PTGS1 (0.44) | — | |
| SCHEMBL26201170 | 0.71 | ABCB1 (0.31) | ABCB1 | |
| SCHEMBL23458023 | 0.71 | RAPGEF4 (0.39) | ABCB1RAPGEF4HPGD | |
| SCHEMBL23458022 | 0.71 | RAPGEF4 (0.39) | ABCB1RAPGEF4HPGD | |
| SCHEMBL16788923 | 0.68 | ABCB1 (0.40) | ABCB1RAPGEF4HPGD | |
| SCHEMBL5498232 | 0.68 | RELA (0.66) | ABCB1HPGD |
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-20230280275-A1 | PHOTOACTIVATABLE VIBRATIONAL PROBES AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2023-09-07 | — | — | US | disclosed |