Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27652827 | 1.00 | ALDH1A1 (0.35) | ALDH1A1EPHX2SMN1; SMN2NPC1MAPT | |
| SCHEMBL27632573 | 0.86 | DRD2 (0.39) | BCHEACHEMCHR1ADRA2AHRH1 | |
| SCHEMBL27632572 | 0.86 | DRD2 (0.39) | BCHEACHEMCHR1ADRA2AHRH1 | |
| SCHEMBL27652766 | 0.82 | MCHR1 (0.35) | ALDH1A1HTTNPSR1MCHR1ADRA2A | |
| SCHEMBL6872301 | 0.82 | CYP3A4 (0.46) | ALDH1A1SMN1; SMN2NPC1MAPTTSHR | |
| SCHEMBL6872308 | 0.82 | CYP3A4 (0.46) | ALDH1A1SMN1; SMN2NPC1MAPTTSHR | |
| SCHEMBL6878362 | 0.81 | ADAM17 (0.40) | EPHX2SMN1; SMN2NPC1RAB9ABCHE | |
| SCHEMBL6867305 | 0.81 | MAPT (0.47) | ALDH1A1SMN1; SMN2NPC1MAPTTSHR | |
| SCHEMBL6867296 | 0.81 | MAPT (0.47) | ALDH1A1SMN1; SMN2NPC1MAPTTSHR | |
| SCHEMBL6878367 | 0.81 | ADAM17 (0.40) | EPHX2SMN1; SMN2NPC1RAB9ABCHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-100451004-C | Pyrimidine derivatives | ARENA PHARM INC (JP) | 2009-01-14 | — | — | CN | disclosed |
| CN-1798736-A | Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use | ARENA PHARM INC (JP) | 2006-07-05 | — | — | CN | disclosed |