Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 3/20 | 0.36 |
| ▸ | NOS1 | P29475 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14175092 | 1.00 | ADRB2 (0.50) | ADRB2ALDH1A1HSD17B10TSHRTP53 | |
| SCHEMBL12312062 | 1.00 | ADRB2 (0.50) | ADRB2ALDH1A1HSD17B10TSHRTP53 | |
| SCHEMBL22593867 | 0.80 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRTP53MAPK1 | |
| SCHEMBL2335763 | 0.80 | CYP2C9 (0.47) | ALDH1A1HSD17B10TSHRTP53MAPK1 | |
| SCHEMBL1314596 | 0.79 | ADRB2 (0.72) | ADRB2ALDH1A1HSD17B10TSHRHIF1A | |
| SCHEMBL16906255 | 0.76 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TSHRTP53MAPK1 | |
| SCHEMBL14944003 | 0.76 | NOS3 (0.55) | ALDH1A1HSD17B10TSHRTP53MAPK1 | |
| SCHEMBL28851656 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRTP53MAPK1 | |
| SCHEMBL11064991 | 0.76 | SLC6A4 (0.52) | ALDH1A1HSD17B10TSHRTP53MAPK1 | |
| SCHEMBL19941403 | 0.76 | TAAR1 (0.54) | ALDH1A1HSD17B10TSHRTP53MAPK1 |
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-4448994-A | Reduction of C-nitrosoarylamines | UOP INC. (US) | 1984-05-15 | — | — | US | disclosed |