Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ALPL | P05186 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL15383825 | 0.89 | ALDH1A1 (0.49) | ALDH1A1MCL1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL15383827 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MCL1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL9034755 | 0.85 | MAPK1 (0.48) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21044506 | 0.84 | SMN1; SMN2 (0.53) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21044559 | 0.84 | CA12 (0.50) | ALDH1A1CYP1A2CA1CA2MAPT | |
| SCHEMBL17595320 | 0.84 | MCL1 (0.71) | ALDH1A1MCL1ADORA3HPGDCA1 | |
| SCHEMBL17595087 | 0.84 | GAA (0.59) | ALDH1A1MCL1KDM4ECYP1A2HPGD | |
| SCHEMBL13188759 | 0.83 | DYRK1A (0.58) | ALDH1A1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21044494 | 0.83 | MAPT (0.54) | ALDH1A1KDM4EHPGDCASP1HSD17B10 | |
| SCHEMBL15383826 | 0.82 | SCN9A (0.58) | ALDH1A1MCL1KDM4ECYP1A2CYP2D6 |
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 |