Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 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 | |
|---|---|---|---|---|
| SCHEMBL16612178 | 0.98 | NR1I2 (0.48) | TYRNR1I2ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL16612428 | 0.95 | NR1I2 (0.50) | TYRNR1I2ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL16612380 | 0.93 | NR1I2 (0.49) | TYRNR1I2ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL6000273 | 0.91 | TYR (0.54) | TYRALDH1A1ALDH1A3ALDH3A1ESR1 | |
| SCHEMBL16612761 | 0.88 | NR1I2 (0.59) | TYRNR1I2ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL5725101 | 0.81 | S1PR2 (0.48) | TYRALDH1A1ALDH1A3ALDH3A1MAPT | |
| SCHEMBL12280336 | 0.79 | S1PR2 (0.50) | TYRMAPTS1PR2S1PR1S1PR3 | |
| SCHEMBL3839244 | 0.79 | S1PR2 (0.50) | TYRMAPTS1PR2S1PR1S1PR3 | |
| SCHEMBL16612331 | 0.79 | TYR (0.50) | TYRNR1I2ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL13126238 | 0.77 | GRIA4 (0.51) | TYRALDH1A1ALDH1A3ALDH3A1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3725777-A1 | BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS | Rottapharm Biotech S.r.l. (IT) | 2020-10-21 | — | — | EP | disclosed |