Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL4295727 | 0.85 | ALDH1A1 (0.31) | ALDH1A1ALOX15TSHRHIF1AHSD17B10 | |
| SCHEMBL9878147 | 0.80 | — | — | |
| SCHEMBL10794109 | 0.78 | ALDH1A1 (0.35) | ALDH1A1TSHR | |
| SCHEMBL5074350 | 0.77 | ALDH1A1 (0.64) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL10792605 | 0.77 | CHRNB2 (0.37) | ALDH1A1CYP3A4ALOX15HSD17B10 | |
| SCHEMBL23828174 | 0.76 | ALDH1A1 (0.62) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL4604655 | 0.76 | ALDH1A1 (0.62) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL49805 | 0.75 | ALDH1A1 (1.00) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL11764680 | 0.74 | ALDH1A1 (0.72) | ALDH1A1CYP3A4ALOX15TSHRHIF1A | |
| SCHEMBL10794153 | 0.74 | SLC2A1 (0.39) | ALDH1A1SMN1; SMN2L3MBTL1MAPK1 |
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-6395943-B1 | N-NITROSO INHIBITOR, ADDING A NITROPHENOL COMPOUND SELECTED FROM THE GROUP CONSISTING OF DINITROPHENOL, DINITROCRESOL, 2-SEC-BUTYL-4,6-DINITROPHENOL; STYRENE DURING ITS DISTILLATION | UOP LLC | 2002-05-28 | — | — | US | claimed |