Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ACP1 | P24666 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27720626 | 0.80 | CYP1A2 (0.49) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL2267933 | 0.80 | AKT1 (0.45) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL2268864 | 0.80 | AKT1 (0.45) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL530808 | 0.80 | CYP1A2 (0.45) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL12505007 | 0.79 | PDGFRB (0.46) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL409414 | 0.78 | CYP1A2 (0.42) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL1253863 | 0.77 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL28467592 | 0.77 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL30447104 | 0.77 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL20023742 | 0.77 | CYP1A2 (0.53) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2597955-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016082-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2012-02-02 | — | — | WO | disclosed |