Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.38 |
| ▸ | TSHR | P16473 | 7/20 | 0.38 |
| ▸ | USP2 | O75604 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CFTR | P13569 | 3/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25228606 | 0.94 | KMT2A (0.40) | CYP1A2CYP3A4CYP2C19TSHRUSP2 | |
| SCHEMBL30449840 | 0.94 | KMT2A (0.40) | CYP1A2CYP3A4CYP2C19TSHRUSP2 | |
| SCHEMBL22902474 | 0.87 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C19TSHRUSP2 | |
| SCHEMBL21903703 | 0.87 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C19TSHRUSP2 | |
| SCHEMBL24651144 | 0.84 | NPC1 (0.43) | CYP1A2CYP3A4CYP2C19TSHRUSP2 | |
| SCHEMBL25649309 | 0.83 | BTK (0.41) | TSHRKMT2AMAPTBTKMAPK1 | |
| SCHEMBL31125791 | 0.83 | BTK (0.41) | TSHRKMT2AMAPTBTKMAPK1 | |
| SCHEMBL30449270 | 0.81 | EGFR (0.48) | BTK | |
| SCHEMBL25230898 | 0.80 | ABCB1 (0.44) | CYP1A2CYP3A4CYP2C19TSHRUSP2 | |
| SCHEMBL25271223 | 0.80 | ABCB1 (0.44) | CYP1A2CYP3A4CYP2C19TSHRUSP2 |
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 |