Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.61 |
| ▸ | S100A4 | P26447 | 1/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL8880119 | 0.87 | AKR1B1 (0.66) | AKR1B1MAPK14MAPTACHETTR | |
| SCHEMBL11569877 | 0.86 | AKR1B1 (0.61) | AKR1B1MAPK14NPC1RAB9AACHE | |
| SCHEMBL2007673 | 0.85 | AKR1B1 (0.57) | AKR1B1MAPK14ALDH1A1SMN1; SMN2PDK2 | |
| SCHEMBL11832932 | 0.84 | AKR1B1 (0.53) | AKR1B1S100A4MAPK14MAPTACHE | |
| SCHEMBL11566471 | 0.83 | AKR1B1 (0.60) | AKR1B1MAPK14MAPTACHEALDH1A1 | |
| SCHEMBL11754579 | 0.83 | AKR1B1 (0.60) | AKR1B1MAPK14RAB9AACHETTR | |
| SCHEMBL4222105 | 0.83 | MAPK14 (0.60) | AKR1B1MAPK14NPC1MAPTRAB9A | |
| SCHEMBL11562156 | 0.81 | AKR1B1 (0.65) | AKR1B1MAPK14RAB9AALDH1A1TTR | |
| SCHEMBL11565479 | 0.80 | AKR1B1 (0.54) | AKR1B1MAPK14MAPTRAB9AACHE | |
| SCHEMBL11567084 | 0.80 | AKR1B1 (0.54) | AKR1B1MAPK14NPC1MAPTRAB9A |
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 1 patent. 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 |