Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9749858 | 0.81 | SMN1; SMN2 (0.49) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| SCHEMBL9749331 | 0.78 | ADRB2 (0.40) | BLMCYP1A2ADRB2ADRB1CYP3A4 | |
| SCHEMBL11033838 | 0.69 | ADRB2 (0.49) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| SCHEMBL11753852 | 0.61 | CYP2D6 (0.57) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| SCHEMBL11756802 | 0.59 | CYP2D6 (0.46) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| SCHEMBL11755467 | 0.57 | ADRB2 (0.46) | ADRB2ADRB1CYP2D6ADRB3 | |
| SCHEMBL11403374 | 0.56 | CYP2D6 (0.59) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| SCHEMBL25846983 | 0.55 | CA2 (0.48) | TDP1 | |
| Chloromethane SCHEMBL28143162 | 0.55 | CA2 (0.64) | TDP1 | |
| SCHEMBL6114 | 0.55 | — | — |
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 |