Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 10/20 | 0.43 |
| ▸ | MMP12 | P39900 | 9/20 | 0.43 |
| ▸ | MMP13 | P45452 | 7/20 | 0.43 |
| ▸ | MMP14 | P50281 | 7/20 | 0.43 |
| ▸ | MMP8 | P22894 | 6/20 | 0.43 |
| ▸ | MMP16 | P51512 | 6/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 8/20 | 0.42 |
| ▸ | MMP1 | P03956 | 5/20 | 0.41 |
| ▸ | MMP3 | P08254 | 5/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6682573 | 0.81 | MMP2 (0.50) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL6677350 | 0.79 | CYP2D6 (0.45) | ESR1KCNH2MMP2MMP12MMP14 | |
| SCHEMBL6679784 | 0.75 | ESR1 (0.56) | ESR1KCNH2MMP2MMP13MMP8 | |
| SCHEMBL6679779 | 0.75 | ESR1 (0.56) | ESR1KCNH2MMP2MMP13MMP8 | |
| SCHEMBL6554558 | 0.75 | POLB (0.54) | ESR1KCNH2CNR1MAPTL3MBTL1 | |
| SCHEMBL6677811 | 0.75 | ESR1 (0.51) | ESR1KCNH2MMP2MMP13CNR1 | |
| SCHEMBL6676770 | 0.73 | KCNH2 (0.45) | ESR1KCNH2PTGDR2TRPV1SMN1; SMN2 | |
| SCHEMBL6683466 | 0.70 | CNR1 (0.46) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL6540030 | 0.70 | ACACB (0.47) | ESR1KCNH2CNR1L3MBTL1 | |
| SCHEMBL6540634 | 0.70 | ACACB (0.47) | ESR1KCNH2CNR1L3MBTL1 |
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-2004045610-A1 | AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD (JP) | 2004-06-03 | — | — | WO | disclosed |