Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | TEC | P42680 | 1/20 | 0.35 |
| ▸ | TXK | P42681 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | ITK | Q08881 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18681595 | 0.91 | EGFR (0.53) | EGFRCYP2D6CYP3A4CYP2C9TEC | |
| SCHEMBL21890767 | 0.90 | EGFR (0.55) | EGFRCYP2D6CYP3A4CYP2C9TEC | |
| SCHEMBL18681596 | 0.90 | EGFR (0.55) | EGFRCYP2D6CYP3A4CYP2C9TEC | |
| SCHEMBL18681435 | 0.86 | EGFR (0.53) | EGFRCYP2D6CYP3A4CYP2C9TEC | |
| SCHEMBL18681752 | 0.85 | EGFR (0.53) | EGFRCYP2D6CYP3A4CYP2C9TEC | |
| SCHEMBL16895961 | 0.82 | EGFR (0.69) | EGFRCYP2D6CYP3A4CYP2C9CLK2 | |
| SCHEMBL16895963 | 0.82 | EGFR (0.69) | EGFRCYP2D6CYP3A4CYP2C9CLK2 | |
| SCHEMBL19037552 | 0.82 | EGFR (0.58) | EGFRCYP2D6CYP3A4CYP2C9TEC | |
| SCHEMBL17121732 | 0.82 | EGFR (0.55) | EGFRCYP2D6CYP3A4CYP2C9TEC | |
| SCHEMBL18681340 | 0.82 | EGFR (0.55) | EGFRCYP2D6CYP3A4CYP2C9TEC |
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-2017053537-A1 | BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES | CAPELLA THERAPEUTICS, INC. (US) | 2017-03-30 | — | — | WO | disclosed |