Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2598262 | 0.76 | HTT (0.35) | HTTPTK2CYP3A4CYP2C8TGFBR1 | |
| SCHEMBL19152664 | 0.69 | HTT (0.45) | HTTPTK2MAPTCYP3A4CYP2C8 | |
| SCHEMBL29478852 | 0.68 | PDPK1 (0.43) | ALDH1A1 | |
| SCHEMBL2675945 | 0.68 | PDPK1 (0.43) | ALDH1A1 | |
| SCHEMBL4839832 | 0.67 | HTT (0.38) | HTTPTK2DYRK1A | |
| SCHEMBL25778111 | 0.67 | HTT (0.47) | HTTPTK2MAPTTGFBR1DYRK1A | |
| Iodide SCHEMBL2674409 | 0.67 | PDPK1 (0.42) | ALDH1A1 | |
| SCHEMBL21652656 | 0.67 | HTT (0.47) | HTTPTK2MAPTDYRK1A | |
| SCHEMBL12098048 | 0.66 | — | — | |
| SCHEMBL21652560 | 0.65 | HTT (0.46) | HTTPTK2MAPTCYP3A4DYRK1A |
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-2011146287-A1 | PYRAZOLO[4,3-B]PYRIDINE-7-AMINE INHIBITORS OF ALK5 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-24 | — | — | WO | disclosed |