Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | EP300 | Q09472 | 1/20 | 0.42 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21449729 | 0.78 | KEAP1 (0.42) | HDAC3NCOR1HDAC1HDAC2APP | |
| SCHEMBL21438795 | 0.77 | SMN1; SMN2 (0.44) | APPKEAP1MAOBMAOADAO | |
| SCHEMBL30956086 | 0.72 | MAOB (0.54) | APPMAOBMAOAMAPTALDH1A1 | |
| SCHEMBL21437228 | 0.71 | KEAP1 (0.65) | IDO1KEAP1NSD2 | |
| SCHEMBL2433694 | 0.71 | APP (0.69) | HDAC3NCOR1HDAC1HDAC2APP | |
| SCHEMBL29952277 | 0.70 | APP (0.46) | HDAC3NCOR1HDAC1HDAC2APP | |
| SCHEMBL28586628 | 0.69 | IDO1 (0.53) | HDAC2IDO1KEAP1EP300KAT8 | |
| SCHEMBL28070732 | 0.68 | APP (0.70) | HDAC3NCOR1HDAC1HDAC2APP | |
| SCHEMBL3228582 | 0.68 | APP (0.82) | HDAC3NCOR1HDAC1HDAC2APP | |
| SCHEMBL2272164 | 0.67 | APP (0.69) | HDAC3NCOR1HDAC1HDAC2APP |
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-2019195348-A1 | 1,4-SUBSTITUTED ISOQUINOLINE INHIBITORS OF KEAP1/NRF2 PROTEIN-PROTEIN INTERACTION | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2019-10-10 | — | — | WO | disclosed |