Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 7/20 | 0.42 |
| ▸ | DRD3 | P35462 | 7/20 | 0.42 |
| ▸ | DRD4 | P21917 | 5/20 | 0.42 |
| ▸ | HTR1A | P08908 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
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 SCHEMBL7775352 | 0.92 | KDM4E (0.42) | ALDH1A1MEN1KMT2AHSD17B10KDM4E | |
| SCHEMBL7856229 | 0.92 | NPC1 (0.42) | ALDH1A1KDM4EDRD2SIGMAR1NPC1 | |
| SCHEMBL7769240 | 0.89 | NPC1 (0.40) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7773434 | 0.89 | DRD4 (0.51) | ALDH1A1DRD2DRD3DRD4HTR1A | |
| Bromide SCHEMBL7773417 | 0.88 | DRD4 (0.50) | ALDH1A1DRD2DRD3DRD4HTR1A | |
| Bromide SCHEMBL7775349 | 0.88 | NPC1 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27565726 | 0.86 | NPC1 (0.44) | ALDH1A1MEN1KMT2AKDM4ESLC6A2 | |
| SCHEMBL7775455 | 0.86 | NPC1 (0.44) | ALDH1A1MEN1KMT2AKDM4EDRD4 | |
| SCHEMBL7773411 | 0.85 | DRD2 (0.57) | ALDH1A1MEN1KMT2AKDM4EDRD2 | |
| Bromide SCHEMBL7773488 | 0.85 | NPC1 (0.43) | ALDH1A1MEN1KMT2AKDM4ESLC6A2 |
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-1117663-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | disclosed |