Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 3/20 | 0.31 |
| ▸ | MMP9 | P14780 | 2/20 | 0.31 |
| ▸ | MMP12 | P39900 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | MME | P08473 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25839087 | 0.85 | CYP3A4 (0.36) | CYP3A4MAPK1LMNACNR1ADRA1A | |
| SCHEMBL825584 | 0.84 | TDP1 (0.44) | CYP3A4MAPK1LMNACNR1ADRA1A | |
| SCHEMBL13035554 | 0.82 | TAS1R3 (0.40) | CYP3A4MAPK1LMNACNR1CNR2 | |
| SCHEMBL14269010 | 0.82 | TAS1R3 (0.40) | CYP3A4MAPK1LMNACNR1CNR2 | |
| SCHEMBL13034816 | 0.82 | TAS1R3 (0.40) | CYP3A4MAPK1LMNACNR1CNR2 | |
| SCHEMBL7990837 | 0.81 | CYP3A4 (0.43) | CYP3A4MAPK1LMNACNR1ADRA1A | |
| SCHEMBL8899976 | 0.77 | MMP1 (0.48) | MAPK1LMNATDP1SMN1; SMN2CNR2 | |
| SCHEMBL14268998 | 0.76 | TAS1R3 (0.40) | CYP3A4MAPK1CNR1ADRA1ATDP1 | |
| SCHEMBL12156779 | 0.73 | DPP7 (0.41) | CNR1CA1CA2 | |
| SCHEMBL30952371 | 0.73 | USP2 (0.47) | CYP3A4MAPK1LMNACNR1ADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3515449-B1 | QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER | DANA FARBER CANCER INST INC (US) | 2023-07-12 | — | — | EP | disclosed |