Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.55 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.55 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | ACACA | Q13085 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4737835 | 0.98 | CHRNB2 (0.53) | CHRNB2CHRNA4CHRNB4CHRNA3L3MBTL1 | |
| SCHEMBL1306212 | 0.81 | USP2 (0.49) | L3MBTL1MAPTKMT2AALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7811769 | 0.80 | USP2 (0.47) | L3MBTL1MAPTKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL6840205 | 0.79 | CHRNB2 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3IRAK4 | |
| SCHEMBL23334495 | 0.78 | POLB (0.57) | KMT2AALDH1A1PKMHRH3 | |
| SCHEMBL21482489 | 0.78 | POLB (0.57) | KMT2AALDH1A1PKMHRH3 | |
| SCHEMBL3772648 | 0.77 | MAPT (0.40) | IRAK4MAPTKMT2AALDH1A1ACACB | |
| Hydrochloric Acid SCHEMBL5327246 | 0.77 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3IRAK4 | |
| Hydrochloric Acid SCHEMBL3760127 | 0.77 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRNB4CHRNA3IRAK4 | |
| SCHEMBL20617537 | 0.77 | L3MBTL1 (0.53) | CHRNB2CHRNA4CHRNB4CHRNA3L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008076042-A1 | AZETIDINPIPERAZINE DERIVATIVES THAT ARE NEUROKININ (NK) RECEPTOR ANTAGONISTS AND THEIR USE. | ASTRAZENECA AB (SE) | 2008-06-26 | — | — | WO | disclosed |