Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP1A | P62942 | 11/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6978918 | 1.00 | FKBP1A (0.44) | FKBP1AMMP9HPGDCHRM2CHRM4 | |
| SCHEMBL5416492 | 1.00 | FKBP1A (0.44) | FKBP1AMMP9HPGDCHRM2CHRM4 | |
| SCHEMBL7137994 | 1.00 | FKBP1A (0.44) | FKBP1AMMP9HPGDCHRM2CHRM4 | |
| SCHEMBL6978913 | 1.00 | FKBP1A (0.44) | FKBP1AMMP9HPGDCHRM2CHRM4 | |
| SCHEMBL5410563 | 0.87 | FKBP1A (0.46) | FKBP1AHPGDALDH1A1 | |
| SCHEMBL6979615 | 0.87 | FKBP1A (0.46) | FKBP1AHPGDALDH1A1 | |
| SCHEMBL996186 | 0.86 | FKBP1A (0.44) | FKBP1AHPGDCHRM2CHRM4CHRM5 | |
| SCHEMBL996185 | 0.86 | FKBP1A (0.44) | FKBP1AHPGDCHRM2CHRM4CHRM5 | |
| SCHEMBL996187 | 0.86 | FKBP1A (0.44) | FKBP1AHPGDCHRM2CHRM4CHRM5 | |
| SCHEMBL1781452 | 0.81 | MCL1 (0.45) | FKBP1A |
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-1303485-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002006222-A1 | PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | WO | disclosed |