Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.68 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11711678 | 0.84 | AKR1B1 (0.70) | AKR1B1MAPK14ACHEMAOAALDH1A1 | |
| SCHEMBL11709904 | 0.84 | AKR1B1 (0.74) | AKR1B1MAPK14ACHEMAOAALDH1A1 | |
| SCHEMBL11843271 | 0.82 | AKR1B1 (0.70) | AKR1B1MAPK14ACHEMAOAS100A4 | |
| SCHEMBL11717769 | 0.82 | AKR1B1 (0.67) | AKR1B1MAPK14ACHEMAOAALDH1A1 | |
| Tiopinac SCHEMBL38905 | 0.81 | AKR1B1 (1.00) | AKR1B1MAPK14ACHE | |
| Tiopinac SCHEMBL11570654 | 0.80 | AKR1B1 (0.79) | AKR1B1MAPK14ACHEMAOA | |
| Tiopinac SCHEMBL11825796 | 0.80 | AKR1B1 (0.79) | AKR1B1MAPK14ACHE | |
| Tiopinac SCHEMBL11571636 | 0.80 | AKR1B1 (0.79) | AKR1B1MAPK14ACHEMAOA | |
| Tiopinac SCHEMBL11573830 | 0.80 | AKR1B1 (0.79) | AKR1B1MAPK14ACHEMAOA | |
| Tiopinac SCHEMBL11829030 | 0.80 | AKR1B1 (0.79) | AKR1B1MAPK14ACHEMAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4066663-A | 6,11-Dihydrodibenzo-[b. e.]-thiepin-11-one-3-aldehyde and 3-acetal derivatives | SYNTEX (U.S.A.) INC. (US) | 1978-01-03 | — | — | US | disclosed |
| US-4066663-A | 6,11-Dihydrodibenzo-[b. e.]-thiepin-11-one-3-aldehyde and 3-acetal derivatives | SYNTEX (U.S.A.) INC. (US) | 1978-01-03 | — | — | US | disclosed |