Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | FADS1 | O60427 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1342200 | 0.98 | KEAP1 (0.56) | KEAP1HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL8535843 | 0.92 | KEAP1 (0.59) | KEAP1HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL7920995 | 0.87 | HDAC3 (0.48) | KEAP1HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL5323199 | 0.87 | HDAC3 (0.48) | KEAP1HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL4674613 | 0.86 | KEAP1 (0.53) | KEAP1HDAC3HDAC1HDAC2MEN1 | |
| SCHEMBL8105872 | 0.86 | KEAP1 (0.46) | KEAP1HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL1342037 | 0.85 | HDAC3 (0.46) | KEAP1HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL4674606 | 0.84 | KEAP1 (0.51) | KEAP1HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL11749982 | 0.82 | HTR1F (0.52) | KEAP1HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL1857398 | 0.81 | KDM4E (0.54) | HDAC3HDAC1HDAC2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006129120-A9 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-03-22 | — | — | WO | disclosed |
| WO-2006129120-A2 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2006-12-07 | — | — | WO | disclosed |