Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 3/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11557346 | 0.87 | CA12 (0.55) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL4155873 | 0.79 | CYP2C19 (0.53) | CA12CA1CA2CA9ADRA1D | |
| SCHEMBL10314669 | 0.79 | TSHR (0.53) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL15333147 | 0.74 | NPC1 (0.45) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL28856280 | 0.73 | CA12 (0.38) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL21776615 | 0.73 | CCNC (0.58) | ADRA1DPARP1BRD4KDM4E | |
| SCHEMBL353268 | 0.72 | NOTUM (0.51) | CYP2C19KMT2APOLB | |
| Hydrochloric Acid SCHEMBL28856209 | 0.72 | CA12 (0.37) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL28771070 | 0.71 | LMNA (0.58) | CYP2C19 | |
| SCHEMBL2514239 | 0.71 | CYP2C19 (0.55) | CA12CA1CA2CA9CYP2C19 |
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-2020038460-A1 | NOVEL QUINOLINE DERIVATIVE INHIBITOR | 南京药捷安康生物科技有限公司 | 2020-02-27 | — | — | WO | disclosed |