Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARD | Q03181 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2359864 | 0.95 | PTGS1 (0.56) | PPARAMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2360448 | 0.90 | PPARA (0.59) | PPARAMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4327196 | 0.89 | ALDH1A1 (0.65) | PPARAMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7359872 | 0.88 | PPARA (0.72) | PPARAMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30464883 | 0.88 | PPARA (0.72) | PPARAMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5377125 | 0.87 | ALDH1A1 (0.51) | PPARAMAPTNPC1RAB9ASMN1; SMN2 | |
| Pentachlorophenol SCHEMBL7355120 | 0.79 | PPARA (0.61) | PPARAMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4176290 | 0.79 | ALDH1A1 (0.54) | PPARAMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4211358 | 0.78 | ALDH1A1 (0.60) | PPARAMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27914118 | 0.78 | ALDH1A1 (0.62) | PPARAMAPTNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010121981-A1 | 2H-BENZO [B] [1, 4 ] DIOXEPIN-3 (4H) -ONE DERIVATIVE AND ITS USE AS FRAGRANCE | GIVAUDAN SA (CH) | 2010-10-28 | — | — | WO | disclosed |