Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL20189613 | 0.78 | CYP17A1 (0.41) | HTTALDH1A1RAB9AMAPTLMNA | |
| SCHEMBL187850 | 0.73 | ALDH1A1 (0.56) | HTTALDH1A1RAB9AGAAMEN1 | |
| SCHEMBL3488943 | 0.72 | ALDH1A1 (0.50) | HTTALDH1A1RAB9AMAPTLMNA | |
| SCHEMBL8559820 | 0.72 | MAPT (0.42) | HTTALDH1A1RAB9AMAPTLMNA | |
| SCHEMBL16702893 | 0.72 | ALDH1A1 (0.41) | HTTALDH1A1RAB9AMAPTLMNA | |
| SCHEMBL7833144 | 0.72 | TDP1 (0.49) | HTTALDH1A1RAB9AMAPTGAA | |
| SCHEMBL16703853 | 0.72 | HTT (0.40) | HTTALDH1A1RAB9AMAPTLMNA | |
| SCHEMBL1414586 | 0.71 | ALDH5A1 (0.48) | HTTALDH1A1MAPTLMNAMEN1 | |
| SCHEMBL3594746 | 0.71 | POLB (0.43) | RAB9AMAPTMEN1KMT2APOLB | |
| Hydrochloric Acid SCHEMBL3601018 | 0.71 | ALDH1A1 (0.55) | HTTALDH1A1RAB9AGAAMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3544980-A1 | GSK-3 INHIBITORS | Bristol-Myers Squibb Company (US) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018098411-A1 | GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-31 | — | — | WO | disclosed |