Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.86 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.86 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.86 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.86 |
| ▸ | HPGD | P15428 | 1/20 | 0.86 |
| ▸ | GHSR | Q92847 | 2/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 3/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL50542 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HSD17B10KDM4EENPP2HPGD | |
| SCHEMBL4595294 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HSD17B10KDM4EENPP2HPGD | |
| SCHEMBL29583385 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HSD17B10KDM4EENPP2HPGD | |
| Hydrochloric Acid SCHEMBL1373044 | 0.91 | ALDH1A1 (0.96) | ALDH1A1HSD17B10KDM4EENPP2HPGD | |
| Hydrazine SCHEMBL27365039 | 0.89 | ALDH1A1 (0.93) | ALDH1A1HSD17B10KDM4EENPP2HPGD | |
| Trifluoroacetic Acid SCHEMBL5740837 | 0.87 | ALDH1A1 (0.81) | ALDH1A1HSD17B10KDM4EENPP2HPGD | |
| Indole SCHEMBL28009908 | 0.80 | ALDH1A1 (0.73) | ALDH1A1HSD17B10KDM4EENPP2HPGD | |
| SCHEMBL2951840 | 0.79 | KDM4E (0.74) | ALDH1A1HSD17B10KDM4EENPP2HPGD | |
| SCHEMBL105928 | 0.78 | KDM4E (0.72) | ALDH1A1HSD17B10KDM4EENPP2HPGD | |
| Benzoic Acid SCHEMBL8915824 | 0.78 | ALDH1A1 (0.71) | ALDH1A1HSD17B10KDM4EENPP2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3074400-A1 | NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL | F. Hoffmann-La Roche AG (CH) | 2016-10-05 | — | — | EP | disclosed |
| WO-2015078803-A1 | NEW OCTAHYDRO-CYCLOBUTA [1,2-c;3,4-c']DIPYRROL-2-YL | F. HOFFMANN-LA ROCHE AG (CH) | 2015-06-04 | — | — | WO | disclosed |