Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 6/20 | 0.46 |
| ▸ | DRD4 | P21917 | 3/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | DRD5 | P21918 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 5/20 | 0.45 |
| ▸ | HTR2A | P28223 | 4/20 | 0.45 |
| ▸ | HTR7 | P34969 | 4/20 | 0.45 |
| ▸ | HTR6 | P50406 | 4/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL8666121 | 0.93 | NPC1 (0.48) | NPC1RAB9ACA9CA12CA2 | |
| SCHEMBL8644510 | 0.91 | DRD2 (0.45) | NPC1RAB9ACA9CA12CA2 | |
| SCHEMBL8648283 | 0.89 | DRD2 (0.44) | NPC1RAB9ACA9CA12CA2 | |
| SCHEMBL8646575 | 0.88 | NPC1 (0.47) | NPC1RAB9ACA9CA12CA2 | |
| SCHEMBL8648323 | 0.88 | SIGMAR1 (0.48) | NPC1RAB9ACA9CA2DRD2 | |
| Fumaric Acid SCHEMBL8667106 | 0.84 | NPC1 (0.44) | NPC1RAB9ACA9CA12CA2 | |
| Fumaric Acid SCHEMBL8650993 | 0.84 | NPC1 (0.42) | NPC1RAB9ACA9CA12CA2 | |
| SCHEMBL8644526 | 0.83 | CA9 (0.43) | NPC1RAB9ACA9CA12CA2 | |
| Fumaric Acid SCHEMBL8647009 | 0.83 | NPC1 (0.43) | NPC1RAB9ACA9CA12CA2 | |
| SCHEMBL8645524 | 0.82 | TDP1 (0.53) | NPC1RAB9ADRD2DRD4DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5773437-A | UROGENITAL DISORDERS SUCH AS DYSURIA | NIPPON CHEMIPHAR CO., LTD. (JP) | 1998-06-30 | — | — | US | disclosed |