Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 5/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5323999 | 0.84 | GABBR2 (0.57) | CASP1NPSR1PKMSMN1; SMN2CYP3A4 | |
| SCHEMBL28451834 | 0.82 | SLC15A1 (0.55) | CASP1NPSR1PKMSMN1; SMN2MTNR1A | |
| SCHEMBL9292329 | 0.82 | CYP3A4 (0.51) | CASP1NPSR1PKMSMN1; SMN2CYP3A4 | |
| SCHEMBL28812097 | 0.81 | NPSR1 (0.47) | CASP1NPSR1PKMSMN1; SMN2CYP3A4 | |
| SCHEMBL31555289 | 0.81 | F2 (0.56) | MTNR1AMTNR1BALDH1A1MAPTF2 | |
| Hydrochloric Acid SCHEMBL14760907 | 0.80 | NPSR1 (0.46) | CASP1NPSR1PKMSMN1; SMN2CYP3A4 | |
| SCHEMBL1035975 | 0.79 | SMN1; SMN2 (0.49) | CASP1NPSR1PKMSMN1; SMN2CYP3A4 | |
| SCHEMBL28110882 | 0.78 | CYP2C19 (0.50) | CASP1NPSR1PKMSMN1; SMN2CYP3A4 | |
| SCHEMBL27579705 | 0.78 | PKM (0.48) | NPSR1PKMSMN1; SMN2CYP3A4ALDH1A1 | |
| SCHEMBL4941845 | 0.78 | SMN1; SMN2 (0.48) | CASP1NPSR1PKMSMN1; SMN2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4996235-A | Selectively inhibiting the uptake of serotonin and norepinephrine | ELI LILLY AND COMPANY (US) | 1991-02-26 | — | — | US | disclosed |
| EP-0318233-A2 | Improvements in or relating to serotonin and norepinephrine uptake inhibitors | ELI LILLY AND COMPANY (US) | 1989-05-31 | — | — | EP | disclosed |