Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 6/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9527240 | 0.89 | TBXAS1 (0.49) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP3A4 | |
| SCHEMBL9532043 | 0.84 | KDM4E (0.46) | ALDH1A1HPGDKMT2ANPC1MEN1 | |
| SCHEMBL10407005 | 0.80 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP3A4 | |
| SCHEMBL9528541 | 0.77 | TBXAS1 (0.53) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP3A4 | |
| SCHEMBL9529026 | 0.75 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP3A4 | |
| SCHEMBL10406690 | 0.74 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP3A4 | |
| SCHEMBL9528177 | 0.74 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP3A4 | |
| SCHEMBL9530809 | 0.72 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP3A4 | |
| SCHEMBL9527590 | 0.71 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HPGDCYP1A2CYP3A4 | |
| SCHEMBL28876589 | 0.70 | ADRA2A (0.56) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0366006-B1 | PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1993-09-29 | — | — | EP | disclosed |
| US-4971985-A | ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1990-11-20 | — | — | US | disclosed |
| EP-0366006-A1 | Pyridylketoxime ether compound and pharmaceutical composition containing it | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1990-05-02 | — | — | EP | disclosed |