Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | QDPR | P09417 | 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 | |
|---|---|---|---|---|
| SCHEMBL8315984 | 0.85 | TYR (0.40) | CHRNB2CHRNA4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10899805 | 0.82 | NUDT1 (0.54) | NUDT1BACE1HSP90AA1CHRNB2CHRNA4 | |
| SCHEMBL69755 | 0.80 | NUDT1 (0.57) | NUDT1BACE1HSP90AA1CHRNB2CHRNA4 | |
| SCHEMBL8313932 | 0.77 | QDPR (0.55) | NUDT1BACE1HSP90AA1CHRNB2CHRNA4 | |
| SCHEMBL9640917 | 0.77 | ESR2 (0.55) | NUDT1BACE1HSP90AA1CHRNB2CHRNA4 | |
| SCHEMBL8317554 | 0.76 | MEN1 (0.43) | CHRNB2CHRNA4CYP3A4THPO | |
| SCHEMBL9640922 | 0.74 | GRIN1 (0.47) | CYP3A4CYP2C9ESR1ESR2 | |
| SCHEMBL25303499 | 0.73 | HSP90AA1 (0.40) | NUDT1BACE1HSP90AA1CHRNB2CHRNA4 | |
| SCHEMBL25303498 | 0.73 | HSP90AA1 (0.40) | NUDT1BACE1HSP90AA1CHRNB2CHRNA4 | |
| SCHEMBL9640965 | 0.73 | MAOB (0.40) | NUDT1BACE1HSP90AA1CHRNB2CHRNA4 |
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 4 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 |
| EP-0636625-B1 | Tricyclic diazepines vasopressin and oxytocin antagonists | AMERICAN CYANAMID CO (US) | 1999-01-27 | — | — | EP | disclosed |