Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 4/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.38 |
| ▸ | NPY1R | P25929 | 1/20 | 0.38 |
| ▸ | NPY2R | P49146 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL9749858 | 0.85 | SMN1; SMN2 (0.49) | ADRB2ADRB1ADRB3CYP2D6TDP1 | |
| SCHEMBL11755459 | 0.81 | ADRB2 (0.46) | ADRB2ADRB1ADRB3CYP2D6 | |
| SCHEMBL11755467 | 0.81 | ADRB2 (0.46) | ADRB2ADRB1ADRB3CYP2D6 | |
| SCHEMBL9749846 | 0.80 | ADRB2 (0.43) | ADRB2ADRB1ADRB3CYP2D6TDP1 | |
| SCHEMBL9749813 | 0.78 | SMN1; SMN2 (0.32) | ADRB2ADRB1ADRB3CYP2D6TDP1 | |
| SCHEMBL9749867 | 0.77 | ADRB2 (0.56) | ADRB2ADRB1ADRB3CYP2D6TDP1 | |
| SCHEMBL9749339 | 0.76 | ADRB2 (0.45) | ADRB2ADRB1ADRB3 | |
| SCHEMBL11753911 | 0.76 | ADRB2 (0.48) | ADRB2ADRB1ADRB3CYP2D6 | |
| SCHEMBL11753904 | 0.76 | ADRB2 (0.48) | ADRB2ADRB1ADRB3CYP2D6 | |
| SCHEMBL11411641 | 0.73 | MAPT (0.51) | ADRB2ADRB1ADRB3CYP2D6 |
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 |