Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | CTSC | P53634 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7534237 | 1.00 | TAAR1 (0.52) | TAAR1ADRA2AADRA2BADRA2CPTGS1 | |
| SCHEMBL4210706 | 0.82 | TAAR1 (0.48) | TAAR1ADRA2AADRA2BADRA2CPTGS1 | |
| SCHEMBL1425381 | 0.81 | CYP2C19 (0.48) | TAAR1ADRA2AADRA2BADRA2CCYP2C19 | |
| SCHEMBL3657993 | 0.81 | TAAR1 (0.55) | TAAR1ADRA2AADRA2BADRA2CPTGS1 | |
| SCHEMBL12262043 | 0.81 | CYP2C19 (0.48) | TAAR1ADRA2AADRA2BADRA2CCYP2C19 | |
| SCHEMBL12262584 | 0.81 | CYP2C19 (0.48) | TAAR1ADRA2AADRA2BADRA2CCYP2C19 | |
| SCHEMBL19185640 | 0.79 | TAAR1 (0.48) | TAAR1ADRA2AADRA2BADRA2CPTGS1 | |
| SCHEMBL2336435 | 0.78 | TAAR1 (0.47) | TAAR1ADRA2AADRA2BADRA2CPTGS1 | |
| SCHEMBL3389972 | 0.78 | TAAR1 (0.47) | TAAR1ADRA2AADRA2BADRA2CPTGS1 | |
| SCHEMBL27832993 | 0.78 | TAAR1 (0.47) | TAAR1ADRA2AADRA2BADRA2CPTGS1 |
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-1198172-A1 | USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES | Bayer Aktiengesellschaft (DE) | 2002-04-24 | — | — | EP | disclosed |
| WO-2000065916-A1 | USE OF N-SUBSTITUTED HETEROCYCLYLALKYLAMINES AS HERBICIDES AND NOVEL N-SUBSTITUTED THIENYLALKYLAMINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-11-09 | — | — | WO | disclosed |