Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.48 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.48 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | DRD3 | P35462 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
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 SCHEMBL7773368 | 0.99 | ALDH1A1 (0.47) | ALDH1A1TSHRPPARGRAB9ANCOA2 | |
| SCHEMBL7773359 | 0.93 | HTR2A (0.47) | ALDH1A1TSHRMAPTLMNAADRA1D | |
| SCHEMBL7769229 | 0.92 | HTR7 (0.46) | ALDH1A1TSHRMAPTLMNAADRA1D | |
| Bromide SCHEMBL7773413 | 0.92 | HTR2A (0.46) | ALDH1A1TSHRMAPTLMNAADRA1D | |
| Bromide SCHEMBL7769211 | 0.91 | HTR7 (0.45) | ALDH1A1TSHRMAPTLMNAADRA1D | |
| SCHEMBL7769221 | 0.88 | DRD2 (0.48) | ALDH1A1TSHRPPARGRAB9ANCOA2 | |
| SCHEMBL7856186 | 0.82 | DRD3 (0.49) | ALDH1A1MAPTMAPK1KDM4EKMT2A | |
| Fumaric Acid SCHEMBL7773336 | 0.81 | HTR1A (0.48) | ALDH1A1KDM4EDRD2DRD3DRD1 | |
| SCHEMBL7773392 | 0.79 | CA1 (0.48) | ALDH1A1RAB9AMAPTKDM4EKMT2A | |
| SCHEMBL7776879 | 0.79 | DRD2 (0.51) | ALDH1A1RAB9AMAPTLMNAADRA1A |
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 6 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 | claimed |
| WO-2000018767-A9 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORP (US) | 2001-04-19 | — | — | WO | claimed |
| WO-2000018767-A2 | 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-06 | — | — | WO | claimed |
| 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 |