Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | RGS12 | O14924 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL464725 | 0.85 | HCAR2 (0.45) | HCAR2ADRA2CCYP2D6TSHRKDM4E | |
| Bicarbonate SCHEMBL6548895 | 0.81 | HCAR2 (0.53) | HCAR2CYP3A4CYP2D6KMT2ALMNA | |
| SCHEMBL5431494 | 0.80 | HCAR2 (0.42) | HCAR2ADRA2CCYP2D6TSHRKDM4E | |
| SCHEMBL18800689 | 0.80 | HCAR2 (0.47) | HCAR2ADRA2CCYP3A4CHRM2ADRA1A | |
| SCHEMBL297137 | 0.80 | HCAR2 (0.47) | HCAR2ADRA2CCYP3A4CHRM2ADRA1A | |
| SCHEMBL7853355 | 0.78 | HCAR2 (0.41) | HCAR2ADRA2CCYP2D6KMT2AKDM4E | |
| SCHEMBL22169 | 0.76 | LMNA (0.57) | HCAR2CYP3A4TSHRHSD17B10KMT2A | |
| Isopropylbenzene SCHEMBL641734 | 0.75 | ADRA2C (0.44) | ADRA2CCYP3A4CHRM2ADRA1ARGS12 | |
| SCHEMBL28702688 | 0.74 | ALDH1A1 (0.49) | HCAR2CYP3A4CYP2D6TSHRKMT2A | |
| SCHEMBL198133 | 0.74 | HCAR2 (0.45) | HCAR2ADRA2CCYP2D6TSHRKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0566356-A1 | Process for work-up and purification of the reaction products obtained by epoxidation of an olefin with hydroperoxyethyl benzene | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1993-10-20 | — | — | EP | disclosed |