Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | IRAK4 | Q9NWZ3 | 9/20 | 0.55 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9329368 | 0.88 | CYP2C9 (0.57) | MEN1CYP2C9ALOX15CYP2C19KMT2A | |
| SCHEMBL9329277 | 0.82 | HPGDS (0.46) | MEN1CYP2C9ALOX15CYP2C19KMT2A | |
| SCHEMBL28601973 | 0.81 | HDAC6 (0.69) | HDAC6HDAC2IRAK4TLR7NPC1 | |
| SCHEMBL9329929 | 0.79 | CYP2C9 (0.46) | MEN1CYP2C9ALOX15CYP2C19KMT2A | |
| SCHEMBL7703958 | 0.78 | IRAK4 (0.66) | MEN1ALOX15KMT2AHDAC6HDAC2 | |
| SCHEMBL28348308 | 0.78 | HDAC6 (0.65) | ALOX15HDAC6HDAC2IRAK4TLR7 | |
| SCHEMBL28970478 | 0.77 | HDAC6 (0.78) | HDAC6HDAC2IRAK4TLR7NPC1 | |
| Nicorandil SCHEMBL34547 | 0.76 | KMT2A (1.00) | MEN1CYP2C9ALOX15CYP2C19KMT2A | |
| Nicorandil SCHEMBL5051667 | 0.76 | KMT2A (1.00) | MEN1CYP2C9ALOX15CYP2C19KMT2A | |
| Nicorandil SCHEMBL29512234 | 0.76 | KMT2A (1.00) | MEN1CYP2C9ALOX15CYP2C19KMT2A |
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-0300400-B1 | Nitric acid ester derivative | FUJISAWA PHARMACEUTICAL CO (JP) | 1994-03-16 | — | — | EP | disclosed |
| US-5010093-A | Vasodilators; cardiovascular disorders | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-04-23 | — | — | US | disclosed |
| US-4923886-A | VASODILATORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1990-05-08 | — | — | US | disclosed |
| EP-0300400-A1 | Nitric acid ester derivative | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1989-01-25 | — | — | EP | disclosed |