Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15084374 | 0.87 | HRH3 (0.45) | HCRTR1HCRTR2SLC6A9ALDH1A1MAPT | |
| SCHEMBL15081973 | 0.84 | HCRTR1 (0.39) | HCRTR1HCRTR2SLC6A9S1PR1S1PR3 | |
| SCHEMBL10210895 | 0.82 | ALDH1A1 (0.47) | HCRTR1HCRTR2SLC6A9ALDH1A1MAPT | |
| SCHEMBL3552 | 0.79 | DRD2 (0.44) | ALDH1A1MAPTSMN1; SMN2CYP2D6CNR2 | |
| Bicarbonate SCHEMBL18167233 | 0.79 | DRD2 (0.42) | SLC6A9S1PR1S1PR3ALDH1A1CNR2 | |
| SCHEMBL4223 | 0.74 | CYP1A2 (0.42) | HCRTR1HCRTR2ALDH1A1MAPTSMN1; SMN2 | |
| Bicarbonate SCHEMBL18167182 | 0.74 | ACKR3 (0.44) | S1PR1ALDH1A1SMN1; SMN2CYP2D6KDM4E | |
| SCHEMBL807393 | 0.73 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CYP2D6CNR2L3MBTL1 | |
| SCHEMBL5236 | 0.72 | OPRM1 (0.43) | ATML3MBTL1 | |
| SCHEMBL11226 | 0.71 | DRD2 (0.37) | HCRTR1HCRTR2SLC6A9S1PR1S1PR3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | WO | disclosed |