Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8715570 | 0.89 | SRC (0.34) | KDM4EALDH1A1CYP2C19P2RX7IRAK4 | |
| SCHEMBL8710219 | 0.88 | CYP3A4 (0.44) | KDM4EALDH1A1CYP2C9CYP2C19IRAK4 | |
| SCHEMBL8709297 | 0.78 | TSHR (0.38) | KDM4EALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8710268 | 0.77 | XDH (0.43) | NPC1POLBRAB9AKMT2APTGDR2 | |
| SCHEMBL8710956 | 0.76 | TSHR (0.44) | KDM4EALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8710954 | 0.76 | TSHR (0.44) | KDM4EALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8713994 | 0.70 | P2RX7 (0.40) | P2RX7KMT2A | |
| SCHEMBL8709054 | 0.69 | CYP3A4 (0.47) | KDM4EALDH1A1CYP2C9CYP2C19PTGDR2 | |
| SCHEMBL8713191 | 0.69 | MAPK8 (0.39) | KDM4EALDH1A1NPC1POLBHTR1A | |
| SCHEMBL4212506 | 0.69 | NPC1 (0.53) | ALDH1A1NPC1RAB9AKMT2APTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5716971-A | FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-10 | — | — | US | disclosed |
| EP-0623597-B1 | Pyridine derivatives, with potassium channel opening activity | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-10-22 | — | — | EP | disclosed |
| EP-0623597-A1 | Pyridine derivatives, with potassium channel opening activity | Takeda Chemical Industries, Ltd. (JP) | 1994-11-09 | — | — | EP | disclosed |