Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7995298 | 1.00 | CYP1A2 (0.35) | CYP1A2CYP2C19SMN1; SMN2HRH2ALDH1A1 | |
| SCHEMBL7751862 | 0.86 | FKBP1A (0.37) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1FKBP1A | |
| SCHEMBL7981403 | 0.86 | FKBP1A (0.37) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1FKBP1A | |
| SCHEMBL7993484 | 0.81 | CYP1A2 (0.36) | CYP1A2CYP2C19SMN1; SMN2HRH2ALDH1A1 | |
| SCHEMBL7753089 | 0.80 | CHRM5 (0.35) | SMN1; SMN2ALDH1A1FKBP1ATBXA2RCHRM5 | |
| SCHEMBL7753085 | 0.80 | CHRM5 (0.35) | SMN1; SMN2ALDH1A1FKBP1ATBXA2RCHRM5 | |
| SCHEMBL7992202 | 0.80 | CHRM5 (0.35) | SMN1; SMN2ALDH1A1FKBP1ATBXA2RCHRM5 | |
| SCHEMBL7995305 | 0.78 | KCNA5 (0.35) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1FKBP1A | |
| SCHEMBL1768031 | 0.78 | FKBP1A (0.37) | CYP1A2CYP2C19SMN1; SMN2ALDH1A1FKBP1A | |
| SCHEMBL7972362 | 0.78 | ALDH1A1 (0.34) | CYP1A2SMN1; SMN2ALDH1A1TSHRKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001023355-A1 | NOVEL OPTICALLY ACTIVE FUNGICIDE COMPOUNDS COMPRISING A HYDROXIMIC OR HYDRAZONIC FUNCTION | AVENTIS CROPSCIENCE SA (FR) | 2001-04-05 | — | — | WO | disclosed |