Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3440052 | 0.83 | MCL1 (0.39) | TSHRCYP1A2POLBCYP2D6CYP2C19 | |
| SCHEMBL2276990 | 0.81 | MCL1 (0.56) | TSHRMCL1ALDH1A1HPGDMAPT | |
| SCHEMBL15412587 | 0.78 | OGG1 (0.43) | TSHRPOLBMCL1LMNAALDH1A1 | |
| SCHEMBL5367871 | 0.78 | MCL1 (0.55) | TSHRPOLBMCL1GAALMNA | |
| SCHEMBL77567 | 0.76 | TSHR (0.69) | TSHRCYP1A2POLBCYP2D6CYP2C19 | |
| SCHEMBL9935369 | 0.76 | TSHR (0.46) | TSHRCYP1A2POLBCYP2D6CYP2C19 | |
| SCHEMBL14356223 | 0.76 | PTGS2 (0.46) | CYP2C19MAPK1GAALMNAALDH1A1 | |
| SCHEMBL2251218 | 0.75 | CYP1A2 (0.46) | TSHRCYP1A2POLBCYP2D6CYP2C19 | |
| SCHEMBL15412157 | 0.75 | CA12 (0.42) | TSHRPOLBMCL1GAAALDH1A1 | |
| SCHEMBL8463237 | 0.74 | CA1 (0.48) | TSHRCYP1A2POLBCYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2402329-B1 | Analgetic phenylsulphonamides | BOEHRINGER INGELHEIM INT (DE) | 2013-05-22 | — | — | EP | disclosed |