Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL8712772 | 0.84 | EGFR (0.36) | ALDH1A1MAPTHTTSMN1; SMN2KDM4E | |
| SCHEMBL8715493 | 0.80 | SGMS2 (0.37) | ALDH1A1GAALMNAHPGDKDM4E | |
| SCHEMBL8710153 | 0.74 | EGFR (0.33) | S1PR4EGFRERBB2 | |
| SCHEMBL8709739 | 0.69 | CYP3A4 (0.32) | EGFRERBB2 | |
| SCHEMBL8715277 | 0.68 | CLCN2 (0.38) | ALDH1A1POLBS1PR4MAPTLMNA | |
| SCHEMBL31082087 | 0.67 | MEN1 (0.35) | ALDH1A1POLBGAANPSR1S1PR4 | |
| SCHEMBL17625811 | 0.67 | LMNA (0.40) | ALDH1A1POLBNPSR1MAPTLMNA | |
| SCHEMBL8709673 | 0.66 | CSNK2A1 (0.43) | — | |
| SCHEMBL8715028 | 0.65 | L3MBTL1 (0.38) | ALDH1A1GAAS1PR4MAPTLMNA | |
| SCHEMBL31082195 | 0.65 | PLAU (0.35) | ALDH1A1POLBNPSR1LMNAHPGD |
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 |