Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | NQO2 | P16083 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8713174 | 0.83 | ESR1 (0.47) | ESR1ESR2PTGS2NQO2PTGS1 | |
| SCHEMBL3754984 | 0.80 | ESR1 (0.54) | ESR1ESR2PTGS2NQO2PTGS1 | |
| 4-Hydroxybenzaldehyde SCHEMBL9157915 | 0.78 | ALDH5A1 (0.61) | KDM4EALDH1A1BACE1CA12CA1 | |
| SCHEMBL8713169 | 0.76 | MAPT (0.39) | ESR1PTGS2NQO2PTGS1KDM4E | |
| Phenol SCHEMBL11804127 | 0.70 | CA4 (0.52) | ESR1ESR2PTGS2PTGS1ALDH1A1 | |
| 4-Hydroxybenzaldehyde SCHEMBL28883554 | 0.69 | ALDH5A1 (0.67) | PTGS2NQO2PTGS1KDM4EALDH1A1 | |
| SCHEMBL8709934 | 0.69 | ALDH1A1 (0.48) | ESR1ESR2PTGS2PTGS1KDM4E | |
| SCHEMBL15452321 | 0.69 | IDO1 (0.48) | ESR1ESR2KDM4EALDH1A1MEN1 | |
| SCHEMBL1164737 | 0.69 | ALDH1A1 (0.61) | PTGS2NQO2PTGS1KDM4EALDH1A1 | |
| SCHEMBL7095950 | 0.68 | ESR1 (0.48) | ESR1ESR2PTGS2NQO2PTGS1 |
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 |