Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3135667 | 1.00 | KEAP1 (0.36) | KEAP1CA12CA9CASP3MEN1 | |
| SCHEMBL27659465 | 0.91 | CASP3 (0.38) | KEAP1CA12CA9CASP3MEN1 | |
| SCHEMBL17270371 | 0.91 | CASP3 (0.38) | KEAP1CA12CA9CASP3MEN1 | |
| SCHEMBL13315691 | 0.91 | CASP3 (0.38) | KEAP1CA12CA9CASP3MEN1 | |
| SCHEMBL3559448 | 0.79 | CASP3 (0.38) | KEAP1CA12CA9CASP3KDM4E | |
| SCHEMBL3559442 | 0.79 | CASP3 (0.38) | KEAP1CA12CA9CASP3KDM4E | |
| SCHEMBL3559446 | 0.79 | CASP3 (0.38) | KEAP1CA12CA9CASP3KDM4E | |
| Trifluoroacetic Acid SCHEMBL3126785 | 0.76 | CA12 (0.37) | CA12CA9CASP3MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL3126796 | 0.76 | CA12 (0.37) | CA12CA9CASP3MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL3135723 | 0.76 | CA12 (0.37) | CA12CA9CASP3MEN1KMT2A |
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-2010056633-A2 | 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES | JANSSEN PHARMACEUTICA NV (BE) | 2010-05-20 | — | — | WO | disclosed |