Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.39 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28248098 | 0.92 | MAPT (0.59) | MAPTCA2MAPK1ACE2GPR84 | |
| SCHEMBL27406044 | 0.85 | CHRM1 (0.48) | MAPTCA2MAPK1ACE2GPR84 | |
| Bicarbonate SCHEMBL6442737 | 0.77 | CA2 (0.52) | MAPTCA2MAPK1ACE2GPR84 | |
| SCHEMBL6251102 | 0.76 | CA2 (0.52) | MAPTCA2MAPK1ACE2GPR84 | |
| SCHEMBL905447 | 0.76 | CA2 (0.52) | MAPTCA2MAPK1ACE2GPR84 | |
| SCHEMBL905445 | 0.76 | CA2 (0.52) | MAPTCA2MAPK1ACE2GPR84 | |
| SCHEMBL6250281 | 0.76 | CA2 (0.52) | MAPTCA2MAPK1ACE2GPR84 | |
| SCHEMBL3500277 | 0.76 | CA2 (0.52) | MAPTCA2MAPK1ACE2GPR84 | |
| SCHEMBL28229873 | 0.75 | CA2 (0.52) | MAPTCA2MAPK1ACE2GPR84 | |
| SCHEMBL9291658 | 0.75 | — | — |
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-111971287-A | Macrocyclic compounds as TRK kinase inhibitors | 重庆复创医药研究有限公司 | 2020-11-20 | — | — | CN | disclosed |