Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 6/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18611 | 0.88 | LRRK2 (0.46) | LRRK2CYP11B1HPGDCYP1A2CYP2D6 | |
| SCHEMBL29533314 | 0.88 | LRRK2 (0.46) | LRRK2CYP11B1HPGDCYP1A2CYP2D6 | |
| SCHEMBL30320148 | 0.75 | PLCG1 (0.41) | LRRK2CYP11B1HPGDCYP1A2CYP2D6 | |
| SCHEMBL12754871 | 0.75 | GRM5 (0.46) | LRRK2CYP11B1HPGDCYP1A2CYP2D6 | |
| SCHEMBL167824 | 0.75 | PLCG1 (0.41) | LRRK2CYP11B1HPGDCYP1A2CYP2D6 | |
| SCHEMBL972357 | 0.75 | LRRK2 (0.42) | LRRK2CYP11B1HPGDCYP1A2CYP2D6 | |
| SCHEMBL3248902 | 0.75 | PLCG1 (0.41) | LRRK2CYP11B1HPGDCYP1A2CYP2D6 | |
| Cyclohexane SCHEMBL507539 | 0.70 | GRM5 (0.43) | LRRK2HPGDCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29489584 | 0.70 | — | — | |
| SCHEMBL155110 | 0.70 | — | — |
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-104066730-B | Heterocyclic compounds and their use as type III receptor tyrosine kinase modulators | 埃姆比特生物科学公司 | 2017-03-08 | — | — | CN | disclosed |