Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 7/20 | 0.66 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.66 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.58 |
| ▸ | MAPT | P10636 | 8/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 5/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.58 |
| ▸ | BLM | P54132 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | THPO | P40225 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL19361289 | 0.83 | ADRB2 (0.55) | ADRB2PTGS2OPRK1SLC6A3KDM4E | |
| Hydrochloric Acid SCHEMBL29519415 | 0.81 | ADRB2 (0.69) | ADRB2PTGS2OPRK1SLC6A3KDM4E | |
| Isoetharine SCHEMBL3218412 | 0.79 | ADRB2 (1.00) | ADRB2PTGS2OPRK1SLC6A3KDM4E | |
| Isoetharine SCHEMBL56515 | 0.79 | ADRB2 (1.00) | ADRB2PTGS2OPRK1SLC6A3KDM4E | |
| Isoetharine SCHEMBL56516 | 0.79 | ADRB2 (1.00) | ADRB2PTGS2OPRK1SLC6A3KDM4E | |
| Isoetharine SCHEMBL3225540 | 0.79 | ADRB2 (1.00) | ADRB2PTGS2OPRK1SLC6A3KDM4E | |
| Isoetharine SCHEMBL21252711 | 0.79 | ADRB2 (1.00) | ADRB2PTGS2OPRK1SLC6A3KDM4E | |
| Isoetharine SCHEMBL29515330 | 0.79 | ADRB2 (1.00) | ADRB2PTGS2OPRK1SLC6A3KDM4E | |
| Isoetharine SCHEMBL211343 | 0.78 | ADRB2 (0.97) | ADRB2PTGS2OPRK1SLC6A3KDM4E | |
| SCHEMBL4627952 | 0.76 | ADRB2 (0.76) | ADRB2PTGS2OPRK1SLC6A3KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-9964552-B2 | Mass spectrometric identification and/or quantitation of catecholamines using aminopyrazoles | DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) | 2018-05-08 | — | — | US | disclosed |