Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | HRH2 | P25021 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL14146290 | 1.00 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2ROCK2MAPT | |
| Hydrochloric Acid SCHEMBL7311991 | 0.83 | ADRA2A (0.43) | NPC1RAB9ASMN1; SMN2ROCK2MAPT | |
| Bromide SCHEMBL7317103 | 0.81 | DRD3 (0.48) | NPC1RAB9ASMN1; SMN2ROCK2MAPT | |
| SCHEMBL4786177 | 0.78 | DRD3 (0.62) | NPC1RAB9ASMN1; SMN2ROCK2DRD3 | |
| SCHEMBL14146078 | 0.78 | DRD3 (0.62) | NPC1RAB9ASMN1; SMN2ROCK2DRD3 | |
| Bromide SCHEMBL7322483 | 0.78 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2ROCK2MAPT | |
| SCHEMBL14146259 | 0.76 | DRD3 (0.47) | NPC1RAB9ASMN1; SMN2ROCK2DRD3 | |
| Bromide SCHEMBL7319918 | 0.74 | MAPT (0.47) | NPC1RAB9AROCK2MAPTTP53 | |
| SCHEMBL14146286 | 0.73 | DRD3 (0.35) | NPC1RAB9ASMN1; SMN2ROCK2DRD3 | |
| SCHEMBL14146258 | 0.73 | DRD3 (0.35) | NPC1RAB9ASMN1; SMN2ROCK2DRD3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008086353-A1 | PROPARGYL-CONTAINING DERIVATIVES OF TETRAHYDRO-BENZTHIAZOLES AND METHODS OF MAKING AND USING THE SAME | ZURAWSKI VINCENT R JR (US) | 2008-07-17 | — | — | WO | disclosed |
| WO-2008086353-A1 | PROPARGYL-CONTAINING DERIVATIVES OF TETRAHYDRO-BENZTHIAZOLES AND METHODS OF MAKING AND USING THE SAME | ZURAWSKI VINCENT R JR (US) | 2008-07-17 | — | — | WO | disclosed |