Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | NEK1 | Q96PY6 | 5/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL11064630 | 0.84 | SLC2A1 (0.39) | SLC6A4ADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL23092069 | 0.82 | SLC6A4 (0.70) | SLC6A4ADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL28506673 | 0.79 | ALDH1A1 (0.39) | SLC6A4ADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL20959733 | 0.78 | ADRA2A (0.57) | ADRA2AADRA2BADRA2CALDH1A1HSD17B10 | |
| SCHEMBL14289853 | 0.78 | ALDH1A1 (0.41) | ADRA2AADRA2BADRA2CALDH1A1HSD17B10 | |
| SCHEMBL12312062 | 0.76 | ADRB2 (0.50) | ADRA2AADRA2BADRA2CALDH1A1HSD17B10 | |
| SCHEMBL14175092 | 0.76 | ADRB2 (0.50) | ADRA2AADRA2BADRA2CALDH1A1HSD17B10 | |
| SCHEMBL11060219 | 0.76 | ADRB2 (0.50) | ADRA2AADRA2BADRA2CALDH1A1HSD17B10 | |
| SCHEMBL8284225 | 0.73 | SLC6A4 (0.59) | SLC6A4ALDH1A1HSD17B10HIF1ANOS3 | |
| SCHEMBL3863807 | 0.73 | SLC6A4 (0.59) | SLC6A4ALDH1A1CYP2C9CYP1A2CYP2D6 |
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 |