Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 7/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 7/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 7/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | THPO | P40225 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14570448 | 0.87 | HSP90AA1 (0.58) | KDM4EADRB2ADRB1ADRA1DADRA1A | |
| SCHEMBL14381820 | 0.83 | KDM4E (0.61) | KDM4EHSD17B10ALDH1A1HPGDCYP2C19 | |
| SCHEMBL13254982 | 0.81 | SIRT3 (0.42) | ADRB2ADRB1ADRA1DADRA1AADRA1B | |
| SCHEMBL13254974 | 0.81 | SIRT3 (0.42) | ADRB2ADRB1ADRA1DADRA1AADRA1B | |
| SCHEMBL13254984 | 0.81 | SIRT3 (0.42) | ADRB2ADRB1ADRA1DADRA1AADRA1B | |
| SCHEMBL13898427 | 0.81 | ALDH1A1 (0.60) | KDM4EADRB2ADRB1ADRA1DADRA1A | |
| SCHEMBL6075622 | 0.79 | ADRB2 (0.62) | KDM4EADRB2ADRB1ADRA1DADRA1A | |
| SCHEMBL9135589 | 0.79 | ADRB2 (0.62) | KDM4EADRB2ADRB1ADRA1DADRA1A | |
| SCHEMBL30883921 | 0.79 | ADRB2 (0.62) | KDM4EADRB2ADRB1ADRA1DADRA1A | |
| SCHEMBL12208227 | 0.79 | CA12 (0.61) | ADRB2ADRB1ADRA1DADRA1AADRA1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017098520-A1 | PROCESS FOR THE PREPARATION OF LABETALOL HYDROCHLORIDE | prscDAVALURI RAMAMOHAN RAO (IN) | 2017-06-15 | — | — | WO | disclosed |