Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10764967 | 0.90 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL10750432 | 0.72 | MAP2K1 (0.39) | ALDH1A1MEN1KMT2AHSD17B10 | |
| SCHEMBL9835220 | 0.69 | — | — | |
| SCHEMBL12221042 | 0.65 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL10762471 | 0.65 | HPGD (0.32) | ALDH1A1MEN1KMT2A | |
| SCHEMBL28935210 | 0.65 | ALDH1A1 (0.48) | ALDH1A1CYP2A6MAOAMAOBSMN1; SMN2 | |
| SCHEMBL11686727 | 0.65 | — | — | |
| Cyclohexane SCHEMBL6378749 | 0.65 | — | — | |
| SCHEMBL289021 | 0.64 | — | — | |
| SCHEMBL9845949 | 0.63 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0261674-B1 | A CYCLOHEXANEDIONE DERIVATIVE AND A PROCESS FOR PRODUCING THE SAME | NIHON NOHYAKU CO., LTD. (JP) | 1991-06-12 | — | — | EP | disclosed |
| EP-0414952-A1 | Dithiolane derivatives | NIHON NOHYAKU CO., LTD. (JP) | 1991-03-06 | — | — | EP | disclosed |
| US-4863925-A | SUBSTITUTED | NIHON NOHYAKU CO., LTD. (JP) | 1989-09-05 | — | — | US | disclosed |
| EP-0261674-A1 | A cyclohexanedione derivative and a process for producing the same | NIHON NOHYAKU CO., LTD. (JP) | 1988-03-30 | — | — | EP | disclosed |
| US-4668799-A | Anti-hepatitis and anti-cirrhotic 1,3-dithiol-2-ylidene derivatives, and pharmaceutical compositions therefor | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1987-05-26 | — | — | US | disclosed |
| EP-0210284-A1 | 1,3-Dithiol-2-ylidene derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1987-02-04 | — | — | EP | disclosed |