Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 2/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 6/20 | 0.38 |
| ▸ | RXRB | P28702 | 2/20 | 0.38 |
| ▸ | RXRG | P48443 | 2/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.36 |
| ▸ | CYP26B1 | Q9NR63 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | TACR3 | P29371 | 3/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6017346 | 0.90 | RXRA (0.39) | RARARARBRARGRXRARXRB | |
| SCHEMBL18741112 | 0.88 | ESR2 (0.41) | RARARARBRARGRXRARXRB | |
| SCHEMBL295952 | 0.85 | CYP26B1 (0.37) | RARARARBRARGRXRARXRB | |
| SCHEMBL29364769 | 0.85 | CYP26B1 (0.37) | RARARARBRARGRXRARXRB | |
| SCHEMBL28963421 | 0.85 | ALDH1A1 (0.41) | RARARARBRARGRXRARXRB | |
| SCHEMBL8037417 | 0.85 | RARA (0.37) | RARARARBRARGRXRARXRB | |
| SCHEMBL4440994 | 0.82 | RARA (0.56) | RARARARBRARGRXRARXRB | |
| SCHEMBL9770732 | 0.80 | ESR2 (0.38) | RARARARBRARGRXRARXRB | |
| SCHEMBL10339561 | 0.80 | ESR1 (0.41) | RARARARBRARGRXRARXRB | |
| SCHEMBL8011531 | 0.80 | TP53 (0.43) | RARARARBRARGRXRARXRB |
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-3362428-A1 | NOVEL OCTAHYDROINDENYL PROPANAL COMPOUNDS | International Flavors & Fragrances Inc. (US) | 2018-08-22 | — | — | EP | disclosed |
| WO-2017066214-A1 | NOVEL OCTAHYDROINDENYL PROPANAL COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2017-04-20 | — | — | WO | disclosed |