Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | HNF4A | P41235 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | AGXT | P21549 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1370479 | 0.80 | ALDH1A1 (0.36) | ALDH1A1MAPK1CRHBPCRHR2MAOA | |
| SCHEMBL28489388 | 0.80 | NOTUM (0.38) | ALDH1A1CRHBPCRHR2TSHRMAOA | |
| SCHEMBL27772757 | 0.80 | TAAR1 (0.43) | ALDH1A1MAPK1MAOANOTUMALOX5 | |
| SCHEMBL7877438 | 0.78 | CALM1 (0.41) | ALDH1A1TSHRMAOAPTPN1ACMSD | |
| SCHEMBL6640494 | 0.77 | TAAR1 (0.50) | ALDH1A1TSHRKDM4EUSP2 | |
| SCHEMBL1372022 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAOAALOX5MCL1KDM4E | |
| SCHEMBL533564 | 0.77 | ALDH1A1 (0.42) | ALDH1A1MAPK1CRHBPCRHR2MAOA | |
| SCHEMBL8521841 | 0.76 | PTGS2 (0.35) | ALDH1A1MAPK1MAOAALOX5ACMSD | |
| SCHEMBL29056142 | 0.75 | ALDH1A1 (0.46) | ALDH1A1MAPK1CRHBPCRHR2MAOA | |
| SCHEMBL1370037 | 0.74 | HSD11B1 (0.37) | ALDH1A1TSHRMGLLKDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0519831-A1 | N-Substituted heterocyclic derivatives, their preparation, and pharmaceutical compositions containing them | SANOFI (FR) | 1992-12-23 | — | — | EP | disclosed |