Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.44 |
| ▸ | HTR1A | P08908 | 10/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL32162354 | 0.88 | HCAR2 (0.48) | HCAR2HTR1ASLC6A2SLC6A4PDK2 | |
| SCHEMBL2460605 | 0.88 | HCAR2 (0.48) | HCAR2HTR1ASLC6A2SLC6A4PDK2 | |
| SCHEMBL13361555 | 0.85 | HCAR2 (0.46) | HCAR2HTR1ASLC6A2SLC6A4PDK2 | |
| SCHEMBL13361533 | 0.83 | HCAR2 (0.45) | HCAR2HTR1ASLC6A2SLC6A4PDK2 | |
| SCHEMBL2457650 | 0.80 | HCAR2 (0.43) | HCAR2HTR1ASLC6A2SLC6A4PDK2 | |
| SCHEMBL3317351 | 0.80 | HCAR2 (0.44) | HCAR2HTR1ASLC6A2SLC6A4PDK2 | |
| SCHEMBL7710106 | 0.80 | HCAR2 (0.44) | HCAR2HTR1ASLC6A2SLC6A4PDK2 | |
| SCHEMBL7508122 | 0.80 | HTR1A (0.58) | HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2458819 | 0.80 | HCAR2 (0.44) | HCAR2HTR1ASLC6A2SLC6A4PDK2 | |
| SCHEMBL2456808 | 0.80 | RPS6KA3 (0.43) | HCAR2 |
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 |