Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008579 | 0.90 | CYP2D6 (0.37) | CYP2D6ATMMAPTMAPK1NPSR1 | |
| SCHEMBL21531653 | 0.84 | CYP2D6 (0.42) | CYP2D6ATMMAPTNR1H4CYP1A2 | |
| SCHEMBL25574426 | 0.80 | ESR1 (0.40) | CYP2D6CYP1A2CYP2C19HTR1DADRA2A | |
| SCHEMBL30536019 | 0.78 | HTR1D (0.41) | CYP2D6MAPTMAPK1NPSR1NR1H4 | |
| SCHEMBL1300900 | 0.78 | HTR1D (0.41) | CYP2D6MAPTMAPK1NPSR1NR1H4 | |
| SCHEMBL11402245 | 0.77 | RXRA (0.42) | CYP2D6MAPTNPSR1NR1H4CYP1A2 | |
| SCHEMBL22437161 | 0.77 | CYP2D6 (0.40) | CYP2D6ATMMAPTNR1H4CYP1A2 | |
| SCHEMBL21449928 | 0.75 | CYP2D6 (0.41) | CYP2D6ATMMAPK1NR1H4CYP1A2 | |
| SCHEMBL8226773 | 0.75 | DAO (0.40) | MAPTRXRARXRBTAAR1 | |
| SCHEMBL29335336 | 0.75 | KIF11 (0.47) | CYP2D6ATMCYP1A2CYP2C19HTR1D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6103688-A | TERT-BUTYL SUBSTITUTED INDAN DERIVATIVES | FIRMENICH SA (CH) | 2000-08-15 | — | — | US | disclosed |
| EP-0685444-B1 | Aromatic compounds and their use in perfumery | FIRMENICH & CIE (CH) | 2000-04-05 | — | — | EP | disclosed |
| US-5552379-A | FLORAL, FOR COSMETICS AND HOUSEHOLD ITEMS | FIRMENICH SA (CH) | 1996-09-03 | — | — | US | disclosed |
| EP-0685444-A1 | Aromatic compounds and their use in perfumery | FIRMENICH SA (CH) | 1995-12-06 | — | — | EP | disclosed |