Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PKLR | P30613 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17161059 | 1.00 | RORC (0.42) | RORCPOLBCYP2C9HPGDCYP2C19 | |
| SCHEMBL17161033 | 0.92 | TSHR (0.40) | RORCPOLBCYP2C9HPGDCYP2C19 | |
| SCHEMBL17177767 | 0.89 | ALDH1A1 (0.41) | RORCCYP2C9CYP2C19CTNNB1WNT3A | |
| SCHEMBL17161155 | 0.88 | TSHR (0.40) | RORCCYP2C9CYP2C19TSHRKMT2A | |
| SCHEMBL17161034 | 0.86 | MMP2 (0.40) | RORCHPGDTSHRPKMPKLR | |
| SCHEMBL17177881 | 0.86 | TSHR (0.38) | RORCCTNNB1WNT3ATSHRPKM | |
| SCHEMBL17161035 | 0.86 | TSHR (0.38) | RORCCTNNB1WNT3ATSHRPKM | |
| SCHEMBL17177768 | 0.86 | TSHR (0.38) | RORCPOLBCYP2C9CYP2C19TSHR | |
| SCHEMBL21049714 | 0.85 | TSHR (0.43) | RORCPOLBCTNNB1WNT3ATSHR | |
| SCHEMBL17173675 | 0.85 | RORC (0.38) | RORCCYP2C19CTNNB1WNT3AKMT2A |
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 |