Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL2723539 | 1.00 | MAOB (0.44) | MAOBNFE2L2CYP1A1CYP1B1TRPA1 | |
| SCHEMBL29905579 | 0.79 | MAOB (0.38) | MAOBNFE2L2CYP1A1CYP1B1TRPA1 | |
| SCHEMBL7770617 | 0.77 | MAOB (0.44) | MAOBNFE2L2CYP1A1CYP1B1TRPA1 | |
| SCHEMBL187273 | 0.77 | MAOB (0.44) | MAOBNFE2L2CYP1A1CYP1B1TRPA1 | |
| SCHEMBL8092474 | 0.77 | MAOB (0.35) | MAOBNFE2L2CYP1A1CYP1B1TRPA1 | |
| SCHEMBL821619 | 0.76 | ALDH1A1 (0.36) | MAOBNFE2L2CYP1A1CYP1B1TRPA1 | |
| SCHEMBL8996775 | 0.76 | MAOB (0.42) | MAOBNFE2L2TRPA1ALDH1A1LMNA | |
| SCHEMBL15709852 | 0.73 | MAOB (0.50) | MAOBNFE2L2TRPA1ALDH1A1LMNA | |
| SCHEMBL29716694 | 0.72 | MAOB (0.39) | MAOBNFE2L2CYP1A1CYP1B1TRPA1 | |
| SCHEMBL28560204 | 0.72 | MAPK1 (0.50) | MAOBNFE2L2TRPA1ALDH1A1MAPK1 |
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-2012054782-A2 | FLUOROALKOXYLATION OF ORGANIC COMPOUNDS | PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) | 2012-04-26 | — | — | WO | claimed |
| WO-2012054782-A2 | FLUOROALKOXYLATION OF ORGANIC COMPOUNDS | PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) | 2012-04-26 | — | — | WO | disclosed |