Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MALT1 | Q9UDY8 | 4/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 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 | |
|---|---|---|---|---|
| SCHEMBL17601259 | 0.87 | IDH1 (0.46) | MALT1HRH3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL17544472 | 0.84 | MALT1 (0.57) | MALT1HRH3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL19462069 | 0.83 | MAPK1 (0.49) | MALT1HRH3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL27819587 | 0.81 | CTSK (0.54) | MALT1HRH3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL3451280 | 0.81 | CTSK (0.58) | MALT1HRH3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL19174443 | 0.79 | CTSK (0.60) | MALT1HRH3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL27839685 | 0.78 | MALT1 (0.41) | MALT1HRH3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL3807631 | 0.77 | MALT1 (0.50) | MALT1HRH3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL31135484 | 0.77 | MERTK (0.54) | MALT1HRH3CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL13213387 | 0.77 | MALT1 (0.50) | MALT1HRH3CYP3A4CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109071488-B | Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators | 詹森药业有限公司 | 2021-08-13 | — | — | CN | disclosed |