Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.31 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9691603 | 0.93 | ALDH1A1 (0.36) | ALDH1A1KDM4EHTTLMNANPSR1 | |
| SCHEMBL9691805 | 0.91 | ALDH1A1 (0.36) | ALDH1A1KDM4EHTTLMNANPSR1 | |
| SCHEMBL9691486 | 0.90 | ALDH1A1 (0.34) | ALDH1A1KDM4EGPBAR1KMT2A | |
| SCHEMBL11012109 | 0.87 | ALDH1A1 (0.40) | ALDH1A1KDM4EGPBAR1HTTLMNA | |
| SCHEMBL9691774 | 0.83 | MAPT (0.38) | ALDH1A1HTTLMNANPSR1RAB9A | |
| SCHEMBL9691700 | 0.81 | KDM4E (0.39) | ALDH1A1KDM4ENPSR1KMT2AL3MBTL1 | |
| SCHEMBL11012203 | 0.80 | ALDH1A1 (0.41) | ALDH1A1KDM4EGPBAR1HTTLMNA | |
| SCHEMBL9691606 | 0.80 | KDM4E (0.52) | ALDH1A1KDM4EHTTLMNANPSR1 | |
| SCHEMBL11003915 | 0.79 | KDM4E (0.45) | ALDH1A1KDM4EHTTNPSR1TRPC5 | |
| SCHEMBL9691218 | 0.79 | ALDH1A1 (0.45) | ALDH1A1KDM4EHTTLMNANPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0071819-B2 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| EP-0071819-B1 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1987-04-22 | — | — | EP | disclosed |
| EP-0071819-A1 | Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation | BAYER AG (DE) | 1983-02-16 | — | — | EP | disclosed |