Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNC1 | P63316 | 5/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.47 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.47 |
| ▸ | GPR183 | P32249 | 1/20 | 0.47 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25288830 | 1.00 | TNNC1 (0.47) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| Hydrochloric Acid SCHEMBL17710417 | 0.98 | S1PR1 (0.49) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| SCHEMBL9016870 | 0.88 | TNNC1 (0.53) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| SCHEMBL21058275 | 0.85 | TAAR1 (0.45) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| SCHEMBL10766520 | 0.85 | TAAR1 (0.45) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| SCHEMBL8915856 | 0.81 | SLC6A2 (0.56) | TAAR1SLC6A2SMN1; SMN2LOXL2TP53 | |
| SCHEMBL25288700 | 0.81 | SLC6A2 (0.56) | TAAR1SLC6A2SMN1; SMN2LOXL2TP53 | |
| Bromide SCHEMBL11785245 | 0.79 | MAOA (0.48) | TNNC1S1PR1SGPL1S1PR4GPR183 | |
| Hydrochloric Acid SCHEMBL17710430 | 0.79 | SLC6A2 (0.54) | TAAR1SLC6A2SMN1; SMN2LOXL2TP53 | |
| SCHEMBL3842271 | 0.79 | SMN1; SMN2 (0.43) | S1PR1S1PR3TAAR1SLC6A2CYP2A6 |
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-0709376-B1 | Phenylpiperidino derivatives as neurokinin antagonists | ASTRAZENECA AB (SE) | 2003-07-23 | — | — | EP | disclosed |