Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | GSTP1 | P09211 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GSTA2 | P09210 | 2/20 | 0.32 |
| ▸ | GSTM1 | P09488 | 1/20 | 0.32 |
| ▸ | PRF1 | P14222 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 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 | |
|---|---|---|---|---|
| SCHEMBL31151023 | 0.82 | ALDH1A1 (0.40) | ALDH1A1HSD17B10KDM4ECYP1A2CYP2C19 | |
| SCHEMBL30960128 | 0.76 | — | — | |
| SCHEMBL8081015 | 0.71 | SMN1; SMN2 (0.44) | ALDH1A1HSD17B10KDM4ELMNACA2 | |
| SCHEMBL6941834 | 0.68 | LMNA (0.41) | HSD17B10KDM4ECYP3A4LMNAPGR | |
| SCHEMBL4008196 | 0.68 | GABRR1 (0.33) | ALDH1A1KDM4ECYP3A4LMNACA2 | |
| SCHEMBL8098269 | 0.68 | KDM4E (0.41) | ALDH1A1HSD17B10KDM4ESMN1; SMN2TSHR | |
| SCHEMBL1398019 | 0.68 | GSK3A (0.32) | — | |
| SCHEMBL1334773 | 0.68 | GSK3A (0.32) | — | |
| SCHEMBL7167746 | 0.66 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KDM4ECYP3A4LMNA | |
| SCHEMBL7167743 | 0.66 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KDM4ECYP3A4LMNA |
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-1319000-A1 | 1-AZABICYCLO 2.2.2]OCTAN-3-ONE DERIVATIVES AND MALEIMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER TUMORS | Karolinska Innovations AB (SE) | 2003-06-18 | — | — | EP | claimed |
| WO-2002024692-A1 | 1-AZABICYCLO[2.2.2]OCTAN-3-ONE DERIVATIVES AND MALEIMIDE DERIVATIVES AND THEIR USE FOR TREATING CANCER TUMORS | KAROLINSKA INNOVATIONS AB (SE) | 2002-03-28 | — | — | WO | claimed |