Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
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 | 0.83 | HRH3 (0.45) | ALDH1A1MAPTRAB9AKMT2AHCRTR1 | |
| SCHEMBL10212867 | 0.82 | HCRTR1 (0.42) | ALDH1A1SMN1; SMN2MAPTKMT2AATM | |
| SCHEMBL15081973 | 0.81 | HCRTR1 (0.39) | ALDH1A1SMN1; SMN2MAPTATMHCRTR1 | |
| SCHEMBL10210892 | 0.77 | KMT2A (0.51) | ALDH1A1SMN1; SMN2RAB9AKMT2AATM | |
| SCHEMBL8976521 | 0.76 | BRD4 (0.48) | ALDH1A1SMN1; SMN2MAPTKMT2AHCRTR1 | |
| SCHEMBL4655 | 0.76 | SLC18A3 (0.45) | ALDH1A1SMN1; SMN2KMT2AGAALMNA | |
| SCHEMBL31010210 | 0.75 | BRD4 (0.49) | ALDH1A1SMN1; SMN2RAB9ASIGMAR1NPC1 | |
| Bicarbonate SCHEMBL18167217 | 0.74 | OGA (0.45) | ALDH1A1SMN1; SMN2RAB9AKMT2ASIGMAR1 | |
| SCHEMBL6261211 | 0.74 | HCRTR1 (0.39) | ALDH1A1SMN1; SMN2MAPTHCRTR1HCRTR2 | |
| SCHEMBL2413945 | 0.73 | BRD4 (0.46) | ALDH1A1SMN1; SMN2MAPTKMT2ASLC6A9 |
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 |