Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | ADK | P55263 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.31 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.30 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.30 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16405174 | 0.74 | NISCH (0.39) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL28166931 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28176836 | 0.69 | — | — | |
| SCHEMBL81650 | 0.68 | NISCH (0.59) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL7215900 | 0.68 | NISCH (0.37) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL28425230 | 0.66 | NISCH (0.56) | NISCHMTORADKALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL1536214 | 0.66 | NISCH (0.56) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL26676821 | 0.66 | — | — | |
| SCHEMBL9026316 | 0.65 | NISCH (0.50) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL13977589 | 0.65 | NISCH (0.50) | NISCHMTORADKALDH1A1KDM4E |
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-2379529-B1 | CGRP-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-06-10 | — | — | EP | disclosed |
| CN-1258533-C | Antihistaminic spiro compounds | JANSSEN PHARMACEUTICA NV (BE) | 2006-06-07 | — | — | CN | disclosed |
| EP-0672047-B1 | ANTIALLERGIC IMIDAZO[1,2-a]THIENO[ 2,3-d]AZEPINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2003-05-02 | — | — | EP | disclosed |