Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 0.71 |
| ▸ | DRD3 | P35462 | 8/20 | 0.66 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.55 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 1/20 | 0.55 |
| ▸ | DRD5 | P21918 | 1/20 | 0.55 |
| ▸ | HRH2 | P25021 | 1/20 | 0.55 |
| ▸ | HTR1B | P28222 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4045328 | 0.92 | DRD2 (0.61) | DRD2DRD3NPC1RAB9AMEN1 | |
| SCHEMBL4385569 | 0.85 | DRD2 (0.71) | DRD2DRD3NPC1RAB9AMEN1 | |
| SCHEMBL11512132 | 0.84 | DRD2 (0.78) | DRD2DRD3NPC1RAB9AMEN1 | |
| SCHEMBL4705828 | 0.82 | DRD2 (0.66) | DRD2DRD3NPC1RAB9AMEN1 | |
| SCHEMBL4702745 | 0.80 | DRD2 (0.63) | DRD2DRD3NPC1RAB9AMEN1 | |
| SCHEMBL9224636 | 0.80 | DRD2 (0.77) | DRD2DRD3NPC1RAB9AMEN1 | |
| SCHEMBL4197148 | 0.77 | NPC1 (0.81) | DRD2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4206819 | 0.75 | NPC1 (0.66) | DRD2DRD3NPC1RAB9AMEN1 | |
| SCHEMBL4389064 | 0.75 | DRD3 (0.69) | DRD2DRD3HTR1AADRA2AADRA2B | |
| SCHEMBL4051149 | 0.75 | DRD2 (0.60) | DRD2DRD3NPC1RAB9AMEN1 |
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-1140908-B1 | TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY | ABBOTT GMBH & CO KG (DE) | 2009-03-04 | — | — | EP | disclosed |
| EP-1140907-B1 | TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY | ABBOTT GMBH & CO KG (DE) | 2007-07-11 | — | — | EP | disclosed |
| US-6583166-B1 | Fewer side effects than D2 receptor antagonist neuroleptics; cardiovascular, kidney, central nervous system disorders; 3-(3-((4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl) propyl)-1,3,3a,4,5,9b-hexahydro-2H-benzo(e)indol-2-one | ABBOTT LABORATORIES | 2003-06-24 | — | — | US | disclosed |
| US-6579892-B1 | Affective disorders; neurotic, stress and somatoform disorders and psychoses, e.g. schizophrenia 3-(3-(6-Methyl-1,2,3,4-tetrahydronaphth-2-ylamino)propylmercap to) -4-methyl-5-phenyl-1,2,4(4H)-triazole | ABBOTT LABORATORIES | 2003-06-17 | — | — | US | disclosed |
| EP-1140908-A1 | TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000042038-A1 | TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY | BASF AKTIENGESELLSCHAFT (DE) | 2000-07-20 | — | — | WO | disclosed |