Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 5/20 | 0.47 |
| ▸ | PDGFRA | P16234 | 5/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 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 | |
|---|---|---|---|---|
| SCHEMBL26549500 | 0.86 | CA12 (0.57) | PDGFRBPDGFRACA1CA2CA12 | |
| SCHEMBL7602494 | 0.82 | PDGFRB (0.48) | PDGFRBPDGFRACA1CA2CA12 | |
| SCHEMBL3258189 | 0.82 | MET (0.50) | METKCNH2 | |
| SCHEMBL20392608 | 0.82 | CA1 (0.48) | PDGFRBPDGFRACA1CA2ADORA2A | |
| SCHEMBL25040047 | 0.81 | CA2 (0.47) | CA1CA2CA12CA9ADORA2A | |
| SCHEMBL31538684 | 0.81 | CA2 (0.47) | CA1CA2CA12CA9ADORA2A | |
| SCHEMBL14506139 | 0.81 | CA2 (0.47) | CA1CA2CA12CA9ADORA2A | |
| SCHEMBL12101601 | 0.81 | CA1 (0.47) | PDGFRBPDGFRACA1CA2ADORA2A | |
| SCHEMBL4074673 | 0.81 | CA1 (0.47) | PDGFRBPDGFRACA1CA2DRD2 | |
| SCHEMBL28294469 | 0.80 | PDGFRB (0.51) | PDGFRBPDGFRACA1CA2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109851554-B | Method for preparing trifluoromethanesulfonic acid-6-quinoline ester derivative | 中国科学院大连化学物理研究所 | 2022-05-17 | — | — | CN | disclosed |
| CN-109851554-A | A method of preparing trifluoromethanesulfonic acid -6- quinoline ester derivant | 中国科学院大连化学物理研究所 | 2019-06-07 | — | — | CN | disclosed |