Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.42 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.42 |
| ▸ | CYP3A43 | Q9HB55 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | ACVRL1 | P37023 | 2/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.39 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.39 |
| ▸ | MAP4K3 | Q8IVH8 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL22518601 | 0.96 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| Hydrochloric Acid SCHEMBL30475608 | 0.95 | CYP1A2 (0.41) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| SCHEMBL15709846 | 0.93 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| Hydrochloric Acid SCHEMBL22518572 | 0.92 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| SCHEMBL16975385 | 0.89 | ACHE (0.45) | ACHEL3MBTL1SIRT2 | |
| SCHEMBL21296363 | 0.87 | L3MBTL1 (0.45) | ACVRL1ACVR1BMPR1AACHEL3MBTL1 | |
| SCHEMBL16974776 | 0.85 | ACHE (0.42) | ACHEL3MBTL1SIRT2 | |
| SCHEMBL15317792 | 0.85 | ROCK2 (0.37) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| SCHEMBL16985304 | 0.85 | ROCK2 (0.37) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 | |
| SCHEMBL16985335 | 0.85 | ROCK2 (0.37) | CYP1A2CYP3A4CYP3A5CYP3A7CYP2C19 |
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-2019112269-A1 | PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR | 주식회사 오스코텍 | 2019-06-13 | — | — | WO | disclosed |