Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4773718 | 0.77 | MAPT (0.46) | TDP1HCAR3TSHRCYP3A4VCAM1 | |
| SCHEMBL540381 | 0.68 | MAPT (0.45) | TDP1TSHRCYP3A4ALDH1A1KDM4E | |
| SCHEMBL13545667 | 0.68 | ALDH3A1 (0.56) | TDP1HCAR3MAPK1TSHRCYP3A4 | |
| SCHEMBL24742943 | 0.68 | ALDH3A1 (0.52) | TDP1HCAR3MAPK1TSHRCYP3A4 | |
| SCHEMBL3286485 | 0.67 | TSHR (0.50) | TDP1HCAR3MAPK1TSHRCYP3A4 | |
| SCHEMBL624089 | 0.66 | TSHR (0.42) | TDP1MAPK1TSHRCYP3A4VCAM1 | |
| SCHEMBL4893554 | 0.66 | TSHR (0.50) | TDP1TSHRCYP3A4ALDH1A1KDM4E | |
| SCHEMBL29671003 | 0.66 | TSHR (0.42) | TDP1MAPK1TSHRCYP3A4VCAM1 | |
| SCHEMBL2596740 | 0.66 | CYP1A2 (0.46) | TDP1TSHRCYP3A4ALDH1A1KDM4E | |
| SCHEMBL24742932 | 0.65 | ALDH3A1 (0.49) | TDP1HCAR3MAPK1TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1753738-A1 | PYRROLE COMPOUNDS AS INIBITORS OF ERK PROTEIN KINASE, SYNTHESIS THEREOF AND INTERMEDIATES THERETO | Vertex Pharmaceuticals Incorporated (US) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005113541-A1 | PYRROLE COMPOUNDS AS INHIBITORS OF ERK PROTEIN KINASE, SYNTHESIS THEREOF AND INTERMEDIATES THERETO | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 2005-12-01 | — | — | WO | disclosed |