Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 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 | |
|---|---|---|---|---|
| SCHEMBL29279718 | 0.80 | — | — | |
| SCHEMBL28901120 | 0.79 | — | — | |
| SCHEMBL25738192 | 0.79 | CYP1A2 (0.44) | CYP1A2NFE2L2SIGMAR1EPHX1SMN1; SMN2 | |
| SCHEMBL11993528 | 0.79 | CYP1A2 (0.44) | CYP1A2NFE2L2SIGMAR1EPHX1SMN1; SMN2 | |
| SCHEMBL13963780 | 0.76 | CYP1A2 (0.41) | CYP1A2NFE2L2SIGMAR1EPHX1SMN1; SMN2 | |
| SCHEMBL2611786 | 0.73 | CYP1A2 (0.40) | CYP1A2NFE2L2SIGMAR1EPHX1SMN1; SMN2 | |
| SCHEMBL16590930 | 0.73 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL27980871 | 0.73 | ESR1 (0.44) | NFE2L2MAPTHPGDALDH1A1 | |
| SCHEMBL6463325 | 0.73 | SMN1; SMN2 (0.39) | CYP1A2EPHX1SMN1; SMN2NAAAFKBP1A | |
| SCHEMBL16254216 | 0.72 | CYP1A2 (0.39) | CYP1A2NFE2L2SIGMAR1EPHX1SMN1; SMN2 |
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-1492759-A2 | NOVEL ALICYCLIC ESTERS HAVING A MUSKY SMELL | Symrise GmbH & Co. KG (DE) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003082799-A2 | ALICYCLIC ESTERS HAVING A MUSKY SMELL | SYMRISE GMBH & CO. KG (DE) | 2003-10-09 | — | — | WO | disclosed |