Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | SCN1A | P35498 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10913839 | 0.93 | HRH2 (0.40) | ALDH1A1MAPTLMNAHRH2HRH1 | |
| SCHEMBL10911009 | 0.91 | TDP1 (0.39) | ALDH1A1MAPTLMNAABCC4CACNA1F | |
| SCHEMBL10913633 | 0.91 | LMNA (0.40) | ALDH1A1MAPTLMNAABCC4CACNA1F | |
| SCHEMBL6959645 | 0.90 | ALDH1A1 (0.44) | ALDH1A1MAPTLMNAABCC4CACNA1F | |
| SCHEMBL10913091 | 0.86 | MAPT (0.43) | ALDH1A1MAPTLMNACACNA1FCACNA1D | |
| SCHEMBL10913623 | 0.86 | KMT2A (0.35) | ALDH1A1MAPTLMNACYP1A2HRH2 | |
| SCHEMBL10923076 | 0.83 | KDM4E (0.40) | ALDH1A1MAPTCYP1A2ADORA3ADORA2A | |
| SCHEMBL10914742 | 0.82 | HRH2 (0.34) | ALDH1A1MAPTLMNACYP1A2HRH2 | |
| SCHEMBL10915061 | 0.81 | PTPN11 (0.41) | SCN9A | |
| SCHEMBL10913659 | 0.81 | LDHA (0.39) | ALDH1A1CACNA1FCYP1A2CACNA1DCACNA1S |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0088940-B1 | PYRIDINE-CARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BAYER AG (DE) | 1986-05-21 | — | — | EP | disclosed |
| EP-0088938-B1 | USE OF PYRIDINE COMPOUNDS FOR THE MANUFACTURE OF MEDICAMENTS WITH AN ANTIHYPOXEMIA AND ISCHEMIA-PROTECTIVE ACTIVITY | BAYER AG (DE) | 1986-04-30 | — | — | EP | disclosed |
| EP-0088940-A1 | Pyridine-carboxylic-acid esters, process for their preparation and their use as pharmaceutical compositions | BAYER AG (DE) | 1983-09-21 | — | — | EP | disclosed |
| EP-0088938-A1 | Use of pyridine compounds for the manufacture of medicaments with an antihypoxemia and ischemia-protective activity | BAYER AG (DE) | 1983-09-21 | — | — | EP | disclosed |