Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.37 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8714963 | 0.92 | PPIA (0.43) | ALDH1A1 | |
| SCHEMBL8709890 | 0.90 | RAB9A (0.37) | KDM4EALDH1A1P2RY1RAB9AADORA2A | |
| SCHEMBL8715277 | 0.86 | CLCN2 (0.38) | KDM4EALDH1A1APAF1TDP2NSD2 | |
| SCHEMBL8712836 | 0.86 | MAPK8 (0.37) | ALDH1A1RAB9ADHODHMAPK8MEN1 | |
| SCHEMBL8713191 | 0.84 | MAPK8 (0.39) | KDM4EALDH1A1RAB9ADHODHMAPK8 | |
| SCHEMBL8024858 | 0.84 | ALDH1A1 (0.39) | KDM4EALDH1A1APAF1NSD2CASP3 | |
| SCHEMBL8710246 | 0.83 | XDH (0.40) | KDM4EALDH1A1APAF1TDP2NSD2 | |
| SCHEMBL8709054 | 0.82 | CYP3A4 (0.47) | KDM4EALDH1A1MAPTCYP3A4CYP2D6 | |
| SCHEMBL8709829 | 0.81 | XDH (0.40) | RAB9ADHODHCYP3A4CYP2C19 | |
| SCHEMBL8709365 | 0.80 | GRM4 (0.37) | KDM4EALDH1A1RAB9AMAPK8MEN1 |
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 |