Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | ERN1 | O75460 | 1/20 | 0.52 |
| ▸ | AGPAT2 | O15120 | 3/20 | 0.49 |
| ▸ | CTSA | P10619 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21044449 | 0.85 | AGPAT2 (0.52) | AGPAT2 | |
| SCHEMBL5377655 | 0.82 | GABRA2 (0.47) | ERN1AGPAT2CTSA | |
| SCHEMBL2410383 | 0.82 | ALDH1A1 (0.57) | ALDH1A1HPGDERN1CTSATTR | |
| SCHEMBL2408309 | 0.79 | PTGER1 (0.61) | ALDH1A1HPGDCTSAKDM4EL3MBTL1 | |
| SCHEMBL3072205 | 0.77 | ALPL (0.57) | ALDH1A1HPGDERN1CTSAABL1 | |
| SCHEMBL2405475 | 0.77 | ALDH1A1 (0.55) | ALDH1A1HPGDERN1CTSAABL1 | |
| Trifluoroacetic Acid SCHEMBL5380315 | 0.76 | AGPAT2 (0.58) | ALDH1A1HPGDERN1AGPAT2CTSA | |
| SCHEMBL2406330 | 0.75 | PTGER1 (0.59) | ALDH1A1HPGDCTSATTR | |
| SCHEMBL3340565 | 0.75 | TSHR (0.56) | ALDH1A1HPGDERN1CTSATTR | |
| SCHEMBL19180309 | 0.75 | ALDH1A1 (0.62) | ALDH1A1HPGDERN1KDM4EL3MBTL1 |
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-3191451-B1 | 4-SUBSTITUTED PYRIDINE-2,6-DICARBOXYLIC ACID DERIVATIVES AND METHOD OF PREPARING SAME | OKINAWA INST SCIENCE & TECH SCHOOL CORP (JP) | 2019-06-05 | — | — | EP | claimed |