Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12045772 | 0.85 | ESR2 (0.45) | GPR119SLC6A4SLC6A2SLC6A3MAPT | |
| SCHEMBL8483087 | 0.79 | ALDH1A1 (0.46) | SLC6A4SLC6A2SLC6A3MAPTGAA | |
| SCHEMBL13906346 | 0.78 | ESR2 (0.59) | GPR119SLC6A4SLC6A2SLC6A3MAPT | |
| SCHEMBL3970629 | 0.77 | SLC18A3 (0.43) | MAPTESR2RAB9AALDH1A1LMNA | |
| SCHEMBL5584921 | 0.76 | SLC18A3 (0.55) | SLC6A4SLC6A2 | |
| SCHEMBL20840966 | 0.76 | ESR2 (0.59) | GPR119SLC6A4SLC6A2SLC6A3MAPT | |
| Hydrochloric Acid SCHEMBL4505629 | 0.74 | SLC18A3 (0.53) | SLC6A4SLC6A2MEN1KMT2A | |
| SCHEMBL20884549 | 0.74 | QDPR (0.51) | GPR119SLC6A4SLC6A2SLC6A3MAPT | |
| SCHEMBL13906351 | 0.73 | ESR2 (0.42) | GPR119SLC6A4MAPTESR2MEN1 | |
| SCHEMBL13906347 | 0.73 | ESR2 (0.42) | GPR119SLC6A4MAPTESR2MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0630887-B1 | 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists | ZENECA LTD (GB) | 1999-07-28 | — | — | EP | claimed |
| US-5654299-A | TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1997-08-05 | — | — | US | claimed |
| EP-0630887-A1 | 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists | ZENECA LIMITED (GB) | 1994-12-28 | — | — | EP | claimed |