Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.54 |
| ▸ | CA12 | O43570 | 8/20 | 0.54 |
| ▸ | CA1 | P00915 | 8/20 | 0.54 |
| ▸ | CA7 | P43166 | 8/20 | 0.54 |
| ▸ | CA9 | Q16790 | 8/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20474625 | 0.77 | ALDH1A1 (0.53) | CA2CA12CA1CA7CA9 | |
| SCHEMBL21556045 | 0.75 | ALDH1A1 (0.50) | CA2CA12CA1CA7CA9 | |
| SCHEMBL21556099 | 0.73 | ALDH1A1 (0.48) | CA2CA12CA1CA7CA9 | |
| SCHEMBL31433104 | 0.73 | MMP14 (0.36) | CA2CA1CA9ALDH1A1 | |
| SCHEMBL4706398 | 0.71 | CA2 (1.00) | CA2CA12CA1CA7CA9 | |
| SCHEMBL21938078 | 0.70 | CA2 (0.50) | CA2CA12CA1CA7CA9 | |
| SCHEMBL615392 | 0.68 | CA2 (1.00) | CA2CA12CA1CA7CA9 | |
| SCHEMBL5595956 | 0.68 | CA1 (1.00) | CA2CA12CA1CA7CA9 | |
| SCHEMBL113508 | 0.68 | PTGS2 (0.78) | CA2CA12CA1CA7CA9 | |
| SCHEMBL2213483 | 0.67 | ALDH1A1 (1.00) | CA2CA12CA1CA7CA9 |
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-2018152171-A1 | BILE ACID DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2018-08-23 | — | — | WO | disclosed |