Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PKLR | P30613 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17161027 | 0.86 | TSHR (0.45) | TSHRPKMPKLRKDM1ARCOR1 | |
| SCHEMBL17158404 | 0.86 | TSHR (0.43) | TSHRPKMPKLRKDM1ARCOR1 | |
| SCHEMBL17160978 | 0.85 | TSHR (0.40) | TSHRPKMPKLRKDM1ARCOR1 | |
| SCHEMBL17161033 | 0.85 | TSHR (0.40) | TSHRPKMPKLRKDM1ARCOR1 | |
| SCHEMBL21089378 | 0.85 | RORC (0.42) | TSHRPKMPKLRSMN1; SMN2CA1 | |
| SCHEMBL17161059 | 0.85 | RORC (0.42) | TSHRPKMPKLRSMN1; SMN2CA1 | |
| SCHEMBL17161035 | 0.84 | TSHR (0.38) | TSHRPKMPKLRALDH1A1SMN1; SMN2 | |
| SCHEMBL17177881 | 0.84 | TSHR (0.38) | TSHRPKMPKLRALDH1A1SMN1; SMN2 | |
| SCHEMBL28133662 | 0.83 | MMP2 (0.43) | TSHRPKMPKLRALDH1A1CA1 | |
| SCHEMBL17173752 | 0.83 | TSHR (0.42) | TSHRPKMPKLRALDH1A1SMN1; SMN2 |
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-3495360-A1 | HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES | Grünenthal GmbH (DE) | 2019-06-12 | — | — | EP | disclosed |