Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4720980 | 0.87 | TAAR1 (0.47) | TAAR1ADRA2AADRA2BADRA2CMAPK1 | |
| SCHEMBL4722227 | 0.87 | TAAR1 (0.47) | TAAR1ADRA2AADRA2BADRA2CMAPK1 | |
| SCHEMBL28758566 | 0.86 | TAAR1 (0.46) | TAAR1ADRA2AADRA2BADRA2CMAPK1 | |
| Dimethylformamide SCHEMBL27646694 | 0.83 | TAAR1 (0.44) | TAAR1ADRA2AADRA2BADRA2CMAPK1 | |
| SCHEMBL27626420 | 0.81 | TAAR1 (0.43) | TAAR1ADRA2AADRA2BADRA2CMAPK1 | |
| SCHEMBL4717912 | 0.78 | TAAR1 (0.49) | TAAR1ADRA2AADRA2BADRA2CMAPK1 | |
| SCHEMBL4718952 | 0.77 | TAAR1 (0.48) | TAAR1ADRA2AADRA2BADRA2CMAPK1 | |
| SCHEMBL6321115 | 0.75 | TAAR1 (0.46) | TAAR1ADRA2AADRA2BADRA2CMAPK1 | |
| SCHEMBL6321120 | 0.74 | TAAR1 (0.45) | TAAR1ADRA2AADRA2BADRA2CMAPK1 | |
| SCHEMBL4718364 | 0.71 | GRIA1 (0.38) | — |
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-1660484-B1 | METHYL INDOLES AND METHYL PYRROLOPYRIDINES AS ALPHA-1 ADRENERGIC AGONISTS | HOFFMANN LA ROCHE (CH) | 2008-08-27 | — | — | EP | disclosed |
| US-6979696-B2 | Method for detecting a gram-negative bacterial autoinducer molecule | ROCHE PALO ALTO LLC (US) | 2005-12-27 | — | — | US | disclosed |