Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 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 | |
|---|---|---|---|---|
| SCHEMBL29584732 | 1.00 | SMO (0.43) | SMOCHRM4EPHX2CHEK1CA12 | |
| SCHEMBL29583211 | 0.88 | SMO (0.43) | SMOEPHX2CA12CA1CA2 | |
| SCHEMBL24423840 | 0.88 | SMO (0.43) | SMOEPHX2CA12CA1CA2 | |
| SCHEMBL30630709 | 0.87 | EPHX2 (0.47) | SMOEPHX2 | |
| SCHEMBL29243659 | 0.87 | EPHX2 (0.47) | SMOEPHX2 | |
| SCHEMBL24423552 | 0.86 | SMO (0.42) | SMOEPHX2CA12CA1CA2 | |
| SCHEMBL29583439 | 0.86 | SMO (0.42) | SMOEPHX2CA12CA1CA2 | |
| SCHEMBL29585273 | 0.86 | CHEK1 (0.48) | CHRM4CHEK1CA12CA1CA2 | |
| SCHEMBL29585555 | 0.86 | CHEK1 (0.39) | SMOCHRM4EPHX2CHEK1TSHR | |
| SCHEMBL29243409 | 0.86 | CHEK1 (0.39) | SMOCHRM4EPHX2CHEK1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-116635380-A | PPARgamma modulators and methods of use | 卫材R&D管理有限公司 | 2023-08-22 | — | — | CN | disclosed |