Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2717857 | 0.87 | HTT (0.47) | ALDH1A1TSHRHTTPOLBCNR2 | |
| SCHEMBL354660 | 0.79 | TSHR (0.39) | ALDH1A1TSHRHTTGAAPOLB | |
| SCHEMBL435702 | 0.78 | ALDH1A1 (0.36) | ALDH1A1TSHRHTTGAAPOLB | |
| SCHEMBL28766107 | 0.78 | TSHR (0.38) | ALDH1A1TSHRHTTPOLBCYP2C9 | |
| SCHEMBL1572504 | 0.77 | ALDH1A1 (0.45) | ALDH1A1TSHRGAAPOLBCYP2C9 | |
| SCHEMBL13285291 | 0.76 | PTGS1 (0.55) | ALDH1A1TSHRHTTGAAPOLB | |
| SCHEMBL3546466 | 0.73 | TSHR (0.43) | ALDH1A1TSHRHTTGAAPOLB | |
| SCHEMBL18255993 | 0.70 | P2RX7 (0.49) | ALDH1A1HTTGAAMEN1ALOX15 | |
| SCHEMBL15248902 | 0.70 | PTGS2 (0.44) | — | |
| SCHEMBL8307876 | 0.69 | HTT (0.38) | ALDH1A1TSHRHTTGAAPOLB |
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-2635587-A1 | NOVEL 6-ARYLAMINO PYRIDONE CARBOXAMIDE AS MEK INHIBITORS | Centaurus Biopharma Co., Ltd. (CN) | 2013-09-11 | — | — | EP | disclosed |
| WO-2012059041-A1 | NOVEL 6-ARYLAMINO PYRIDONE CARBOXAMIDE AS MEK INHIBITORS | CENTAURUS BIOPHARMA CO., LTD. (CN) | 2012-05-10 | — | — | WO | disclosed |