Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.35 |
| ▸ | ELOVL1 | Q9BW60 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL574831 | 1.00 | ADRB2 (0.35) | ADRB2ADRB1ADRB3HTTHSP90AB1 | |
| SCHEMBL503098 | 0.84 | TAAR1 (0.33) | ELOVL1 | |
| SCHEMBL503485 | 0.84 | TAAR1 (0.33) | ELOVL1 | |
| SCHEMBL1245973 | 0.80 | ELOVL1 (0.41) | ELOVL1PTGS1PTGS2 | |
| SCHEMBL1833345 | 0.76 | ADRB2 (0.36) | ADRB2ADRB1ADRB3CASRKMT2A | |
| SCHEMBL1842362 | 0.76 | ADRB2 (0.36) | ADRB2ADRB1ADRB3CASRKMT2A | |
| SCHEMBL574862 | 0.75 | CYP1A2 (0.40) | ADRB2ADRB1ADRB3HSP90AA1 | |
| SCHEMBL502775 | 0.75 | ADRB2 (0.36) | ADRB2ADRB1ADRB3HTTCASR | |
| SCHEMBL502893 | 0.75 | ADRB2 (0.36) | ADRB2ADRB1ADRB3HTTCASR | |
| SCHEMBL502774 | 0.75 | ADRB2 (0.36) | ADRB2ADRB1ADRB3HTTCASR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2600853-A1 | COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012016879-A1 | COMBINATIONS COMPRISING ATYPICAL ANTIPSYCHOTICS AND TAAR1 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-02-09 | — | — | WO | disclosed |