Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 3/20 | 0.51 |
| ▸ | TLR2 | O60603 | 1/20 | 0.51 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.51 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.51 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GGT1 | P19440 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL870959 | 0.85 | ALDH1A1 (0.55) | ERN1TLR2TLR1TLR6PTGDR2 | |
| SCHEMBL3864807 | 0.84 | ERN1 (0.68) | ERN1TLR2TLR1TLR6PTGDR2 | |
| Benzene SCHEMBL3155472 | 0.83 | ALDH1A1 (0.58) | ERN1TLR2TLR1TLR6PTGDR2 | |
| SCHEMBL30331767 | 0.82 | ERN1 (0.56) | ERN1TLR2TLR1TLR6PTGDR2 | |
| SCHEMBL2390071 | 0.82 | ERN1 (0.56) | ERN1TLR2TLR1TLR6PTGDR2 | |
| SCHEMBL5241671 | 0.82 | MAPK1 (0.57) | ERN1TLR2TLR1TLR6PTGDR2 | |
| SCHEMBL11633584 | 0.81 | ERN1 (0.50) | ERN1TLR2TLR1TLR6PTGDR2 | |
| Naphthalene SCHEMBL3150577 | 0.80 | KMT2A (0.52) | ERN1TLR2TLR1TLR6PTGDR2 | |
| SCHEMBL1043732 | 0.79 | ERN1 (0.61) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL4628099 | 0.79 | LMNA (0.48) | ERN1TLR2TLR1TLR6PTGDR2 |
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-1974212-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | Vertex Pharmaceuticals Incorporated (US) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007075946-A1 | COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |