Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | RARB | P10826 | 8/20 | 0.44 |
| ▸ | RARG | P13631 | 8/20 | 0.44 |
| ▸ | RARA | P10276 | 7/20 | 0.44 |
| ▸ | RXRA | P19793 | 6/20 | 0.44 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | RXRB | P28702 | 2/20 | 0.39 |
| ▸ | RXRG | P48443 | 2/20 | 0.39 |
| ▸ | RORC | P51449 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2706978 | 0.88 | CYP1A2 (0.56) | CYP1A2RARBRARGRARARXRA | |
| SCHEMBL2706976 | 0.88 | CYP1A2 (0.56) | CYP1A2RARBRARGRARARXRA | |
| SCHEMBL11452887 | 0.85 | HAO1 (0.44) | CYP1A2RARBRARGRARARXRA | |
| SCHEMBL11452886 | 0.85 | HAO1 (0.44) | CYP1A2RARBRARGRARARXRA | |
| SCHEMBL11740452 | 0.84 | ALOX15 (0.40) | CYP1A2RARBRARGRARARXRA | |
| SCHEMBL26967412 | 0.84 | ALDH1A1 (0.43) | CYP1A2RARBRARGRARARXRA | |
| SCHEMBL6942717 | 0.84 | CYP1A2 (0.42) | CYP1A2RARBRARGRARARXRA | |
| SCHEMBL10088064 | 0.82 | CYP1A2 (0.41) | CYP1A2RARBRARGRARARXRA | |
| SCHEMBL5508599 | 0.78 | ALDH1A1 (0.43) | CYP1A2RARBRARGRARARXRA | |
| SCHEMBL9483270 | 0.78 | ALDH1A1 (0.43) | CYP1A2RARBRARGRARARXRA |
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-1654246-A1 | ACETALS, USE THEREOF AS FRAGRANCES AND METHODS FOR PRODUCTION THEREOF | Symrise GmbH & Co. KG (DE) | 2006-05-10 | — | — | EP | claimed |
| WO-2005009984-A1 | ACETALS, USE THEREOF AS FRAGRANCES AND METHODS FOR PRODUCTION THEREOF | SYMRISE GMBH & CO. KG (DE) | 2005-02-03 | — | — | WO | claimed |