Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 18/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | TEC | P42680 | 1/20 | 0.32 |
| ▸ | TXK | P42681 | 1/20 | 0.32 |
| ▸ | BMX | P51813 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30449258 | 0.93 | ABCB1 (0.37) | BTKUSP2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL25271086 | 0.91 | ABCB1 (0.36) | BTKUSP2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL25271087 | 0.91 | ABCB1 (0.36) | BTKUSP2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL25272866 | 0.90 | ABCB1 (0.39) | BTKUSP2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30449742 | 0.90 | ABCB1 (0.39) | BTKUSP2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL25272867 | 0.90 | ABCB1 (0.39) | BTKUSP2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL25271223 | 0.79 | ABCB1 (0.44) | USP2ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL30449368 | 0.79 | ABCB1 (0.44) | USP2ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL25230898 | 0.79 | ABCB1 (0.44) | USP2ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL30497654 | 0.77 | BTK (0.50) | BTK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023110970-A1 | MACROCYCLIC BTK INHIBITORS | NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) | 2023-06-22 | — | — | WO | disclosed |
| WO-2023110936-A1 | REVERSIBLE MACROCYCLIC KINASE INHIBITORS | NETHERLANDS TRANSLATIONAL RESEARCH CENTER HOLDING B.V (NL) | 2023-06-22 | — | — | WO | disclosed |