Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.46 |
| ▸ | CA1 | P00915 | 9/20 | 0.45 |
| ▸ | CA2 | P00918 | 9/20 | 0.45 |
| ▸ | CA9 | Q16790 | 8/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL30452587 | 0.89 | PTGS2 (0.53) | PTGS2CA1CA2CA9CA12 | |
| SCHEMBL2437487 | 0.83 | HTR6 (0.50) | HTR6PTGS2ALDH1A1CYP3A4TDP1 | |
| SCHEMBL1606727 | 0.82 | HTR6 (0.49) | HTR6CYP2C19ALDH1A1CYP3A4TSHR | |
| SCHEMBL20241363 | 0.81 | CA1 (0.58) | CA1CA2CA9CA12CA4 | |
| SCHEMBL12325146 | 0.80 | HTR6 (0.47) | HTR6ALDH1A1CYP3A4TDP1 | |
| SCHEMBL30365875 | 0.79 | ALDH1A1 (0.65) | HTR6CA1CA2CA9CA12 | |
| SCHEMBL1804382 | 0.79 | CA2 (0.58) | CA1CA2CA9CA12CA4 | |
| SCHEMBL1172281 | 0.79 | CA2 (0.58) | CA1CA2CA9CA12CA4 | |
| SCHEMBL16829089 | 0.79 | MAPT (0.47) | HTR6ALDH1A1CYP3A4TSHR | |
| SCHEMBL23413661 | 0.77 | PTGS2 (0.51) | PTGS2CA1CA2CA9CA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013096151-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2013-06-27 | — | — | WO | disclosed |
| WO-2013096153-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2013-06-27 | — | — | WO | disclosed |