Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 7/20 | 0.42 |
| ▸ | CA2 | P00918 | 7/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25018210 | 0.87 | ADRB2 (0.52) | ADRB2ADRB1ADRB3KMT2ACA1 | |
| SCHEMBL14624184 | 0.77 | CA12 (0.54) | CA1CA2CA9CA12GBA1 | |
| SCHEMBL14624918 | 0.77 | CA12 (0.54) | CA1CA2CA9CA12GBA1 | |
| SCHEMBL8750065 | 0.76 | KMT2A (0.56) | KMT2ACA1CA2CA9CA12 | |
| SCHEMBL8899774 | 0.75 | RECQL (0.49) | ADRB2ADRB1ADRB3CA1CA2 | |
| Hydrochloric Acid SCHEMBL4348562 | 0.75 | KMT2A (0.54) | KMT2ACA1CA2CA9CA12 | |
| SCHEMBL14546811 | 0.73 | SPHK1 (0.46) | ADRB2ADRB1ADRB3CA1CA2 | |
| SCHEMBL12522061 | 0.73 | KMT2A (0.56) | ADRB2ADRB1ADRB3KMT2ACA1 | |
| SCHEMBL14443028 | 0.73 | KMT2A (0.56) | ADRB3KMT2AKDM4EPOLBTSHR | |
| SCHEMBL8897049 | 0.73 | ADRB2 (0.48) | ADRB2ADRB1ADRB3KMT2ACA1 |
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-1997021666-A1 | ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS | GLAXO GROUP LIMITED (GB) | 1997-06-19 | — | — | WO | disclosed |