Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 4/20 | 0.33 |
| ▸ | HTR2C | P28335 | 4/20 | 0.33 |
| ▸ | HTR2B | P41595 | 4/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.31 |
| ▸ | PPARA | Q07869 | 3/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15763955 | 0.85 | CES2 (0.42) | CES2CES1CYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL27555847 | 0.84 | CES2 (0.41) | CES2CES1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL29007736 | 0.82 | CYP4F2 (0.38) | CES2CES1CYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL1993192 | 0.81 | ALOX15 (0.46) | CES2CES1CYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL1994064 | 0.79 | ALOX15 (0.49) | CES2CES1ALDH1A1 | |
| SCHEMBL27569618 | 0.76 | CYP4F2 (0.42) | CES2CES1CYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL19385622 | 0.76 | TSHR (0.46) | CES2CES1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL3827377 | 0.76 | CES2 (0.45) | CES2CES1CYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL1996406 | 0.76 | KMT2A (0.51) | SMN1; SMN2 | |
| SCHEMBL10180346 | 0.76 | CES2 (0.41) | CES2CES1CYP4F2CYP4A11ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101600700-B | Novel 2-amino oxazolines as TAAR1 ligands for CNS disorders | HOFFMANN LA ROCHE | 2013-08-21 | — | — | CN | disclosed |
| CN-101600700-A | Novel 2-aminooxazolines as TAAR1 ligands for CNS disorders | HOFFMANN LA ROCHE (CH) | 2009-12-09 | — | — | CN | disclosed |