Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL291361 | 1.00 | HCAR2 (0.43) | HCAR2ADRA2AADRA2CADRA2BTAAR1 | |
| SCHEMBL3124949 | 0.88 | TYR (0.31) | HCAR2 | |
| SCHEMBL3124255 | 0.84 | HDAC4 (0.32) | HCAR2ADRA2CADRA2BKDM4EALDH1A1 | |
| SCHEMBL3870093 | 0.80 | CHRNA7 (0.37) | — | |
| SCHEMBL17615203 | 0.79 | HCAR2 (0.39) | HCAR2ADRA2AADRA2CADRA2BTAAR1 | |
| SCHEMBL4916209 | 0.79 | HCAR2 (0.44) | HCAR2ADRA2AADRA2CADRA2BTAAR1 | |
| SCHEMBL3116759 | 0.78 | NOS3 (0.37) | HCAR2ALDH1A1 | |
| SCHEMBL13195347 | 0.77 | HCAR2 (0.47) | HCAR2ADRA2AADRA2CADRA2BTAAR1 | |
| SCHEMBL96936 | 0.77 | HCAR2 (0.47) | HCAR2ADRA2AADRA2CADRA2BTAAR1 | |
| SCHEMBL11923788 | 0.77 | HCAR2 (0.47) | HCAR2ADRA2AADRA2CADRA2BTAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6057458-A | TRANSITION METAL CATALYSTS TO FORM ALDEHYDES OF ALKENES | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2000-05-02 | — | — | US | disclosed |
| WO-1999024418-A1 | PRODUCTION OF AN OPTICALLY ACTIVE ALDEHYDE BY HYDROFORMYLATION OF A TERMINAL OLEFIN SUBSTRATE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1999-05-20 | — | — | WO | disclosed |