Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | AKT2 | P31751 | 2/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | F11 | P03951 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | NEK4 | P51957 | 2/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.37 |
| ▸ | PRKG2 | Q13237 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4705079 | 0.80 | HTR2A (0.48) | CHRNB2CHRNA4HTR2ATAAR1AKT2 | |
| SCHEMBL1422822 | 0.77 | SLC6A2 (0.59) | CHRNB2CHRNA4HTR2ATAAR1SLC6A2 | |
| SCHEMBL2066147 | 0.77 | SLC6A2 (0.59) | CHRNB2CHRNA4HTR2ATAAR1SLC6A2 | |
| SCHEMBL27511961 | 0.77 | SLC6A2 (0.59) | CHRNB2CHRNA4HTR2ATAAR1SLC6A2 | |
| SCHEMBL14599951 | 0.76 | PLAU (0.40) | PLAUF11LOXL2FDPS | |
| Hydrochloric Acid SCHEMBL7927468 | 0.75 | SLC6A2 (0.57) | CHRNB2CHRNA4HTR2ATAAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL7864529 | 0.75 | SLC6A2 (0.57) | CHRNB2CHRNA4HTR2ATAAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL16702791 | 0.75 | SLC6A2 (0.57) | CHRNB2CHRNA4HTR2ATAAR1SLC6A2 | |
| SCHEMBL5170796 | 0.74 | CHRNB2 (0.51) | CHRNB2CHRNA4HTR2ATAAR1AKT2 | |
| SCHEMBL27829120 | 0.73 | MKNK2 (0.49) | AKT2LOXL2AKT1RPS6KA5GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1773775-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2005123680-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-29 | — | — | WO | disclosed |