Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749331 | 0.85 | ADRB2 (0.40) | BLMADRB2ADRB1ADRB3CYP2D6 | |
| SCHEMBL11753865 | 0.82 | CYP2D6 (0.57) | SMN1; SMN2BLMADRB2ADRB1ADRB3 | |
| SCHEMBL11753852 | 0.82 | CYP2D6 (0.57) | SMN1; SMN2BLMADRB2ADRB1ADRB3 | |
| SCHEMBL9749813 | 0.81 | SMN1; SMN2 (0.32) | SMN1; SMN2BLMADRB2ADRB1ADRB3 | |
| SCHEMBL9749902 | 0.81 | SMN1; SMN2 (0.52) | SMN1; SMN2BLMADRB2ADRB1ADRB3 | |
| SCHEMBL11033838 | 0.80 | ADRB2 (0.49) | SMN1; SMN2BLMADRB2ADRB1ADRB3 | |
| SCHEMBL9749804 | 0.77 | ADRB2 (0.50) | SMN1; SMN2BLMADRB2ADRB1ADRB3 | |
| SCHEMBL9749811 | 0.77 | ADRB2 (0.47) | SMN1; SMN2BLMADRB2ADRB1ADRB3 | |
| SCHEMBL11403374 | 0.77 | CYP2D6 (0.59) | SMN1; SMN2BLMADRB2ADRB1ADRB3 | |
| SCHEMBL11758160 | 0.77 | CYP2D6 (0.59) | SMN1; SMN2BLMADRB2ADRB1ADRB3 |
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-0131006-B1 | ESTERS OF 3-(3-SUBSTITUTED-AMINO-2-HYDROXYPROPOXY)-4-SUBSTITUTED-1,2,5-THIADIAZOLE DERIVATIVES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-06-10 | — | — | EP | claimed |