Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 15/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 15/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 14/20 | 0.40 |
| ▸ | TSHR | P16473 | 9/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | USP2 | O75604 | 6/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL22902474 | 0.87 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL21903643 | 0.85 | BTK (0.46) | BTKMAPT | |
| SCHEMBL21965766 | 0.83 | BTK (0.49) | BTK | |
| SCHEMBL31684271 | 0.83 | BTK (0.49) | BTK | |
| SCHEMBL21903689 | 0.83 | BTK (0.49) | BTK | |
| SCHEMBL21903812 | 0.82 | BTK (0.41) | CYP1A2CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL21903789 | 0.80 | BTK (0.52) | BTK | |
| SCHEMBL21903785 | 0.80 | BTK (0.52) | BTK | |
| SCHEMBL22008946 | 0.77 | BTK (0.40) | BTK | |
| SCHEMBL23217165 | 0.77 | EGFR (0.43) | CYP1A2CYP3A4CYP2C19TSHRALDH1A1 |
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-2021011428-A1 | HETEROCYCLIC KINASE INHIBITORS | GB005, INC. (US) | 2021-01-21 | — | — | WO | disclosed |