Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 6/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 5/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.47 |
| ▸ | DRD2 | P14416 | 4/20 | 0.45 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7775386 | 0.99 | CA1 (0.48) | CA1CA2CA4CA9HTR7 | |
| SCHEMBL7856186 | 0.87 | DRD3 (0.49) | HTR1ADRD2HTR2AKDM4ETP53 | |
| SCHEMBL7769221 | 0.86 | DRD2 (0.48) | HTR1AADRA2ADRD2HTR2AALDH1A1 | |
| SCHEMBL27545653 | 0.84 | HTR1A (0.45) | HTR7HTR1ADRD2HTR2AHTR2C | |
| SCHEMBL7776879 | 0.84 | DRD2 (0.51) | DRD2TP53KMT2AMEN1ALDH1A1 | |
| Bromide SCHEMBL7775396 | 0.83 | DRD2 (0.50) | DRD2TP53KMT2AMEN1ALDH1A1 | |
| Fumaric Acid SCHEMBL7855787 | 0.82 | DRD3 (0.49) | HTR7HTR1ADRD2HTR2AHTR2C | |
| SCHEMBL7773396 | 0.81 | CA1 (0.49) | CA1CA2CA4CA9HTR7 | |
| Bromide SCHEMBL7775388 | 0.80 | CA1 (0.48) | CA1CA2CA4CA9HTR7 | |
| Fumaric Acid SCHEMBL7773336 | 0.80 | HTR1A (0.48) | HTR7HTR1ADRD2HTR2AKDM4E |
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 3 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-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | disclosed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | disclosed |