Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | STAT1 | P42224 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL3358790 | 0.93 | FFAR4 (0.39) | CYP2A6MAPTRAB9ANPC1HSD17B1 | |
| Sulfuric Acid SCHEMBL3358785 | 0.92 | FFAR4 (0.41) | CYP2A6MAPTRAB9ANPC1HSD17B1 | |
| Sulfuric Acid SCHEMBL3358791 | 0.90 | FFAR4 (0.40) | CYP2A6MAPTRAB9ANPC1HSD17B1 | |
| SCHEMBL25602279 | 0.81 | MAPT (0.40) | CYP2A6MAPTRAB9ANPC1HSD17B1 | |
| Acetic Acid SCHEMBL38654826 | 0.77 | FLT1 (0.38) | RAB9ANPC1LMNAKMT2ASMN1; SMN2 | |
| SCHEMBL10034787 | 0.76 | MAPT (0.41) | CYP2A6MAPTRAB9ANPC1HSD17B1 | |
| SCHEMBL5054189 | 0.75 | KDM4E (0.44) | MAPTHPGDALDH1A1LMNAKMT2A | |
| SCHEMBL29787835 | 0.74 | SMN1; SMN2 (0.57) | CYP2A6MAPTRAB9ANPC1HSD17B1 | |
| SCHEMBL110321 | 0.74 | SMN1; SMN2 (0.57) | CYP2A6MAPTRAB9ANPC1HSD17B1 | |
| SCHEMBL27688773 | 0.74 | KDM4E (0.43) | MAPTHPGDALDH1A1LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2172462-A1 | METHOD FOR PRODUCTION OF 3-HYDROXYPROPAN-1-ONE COMPOUND, METHOD FOR PRODUCTION OF 2-PROPEN-1-ONE COMPOUND, AND METHOD FOR PRODUCTION OF ISOXAZOLINE COMPOUND | Nissan Chemical Industries, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |