Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.71 |
| ▸ | DRD3 | P35462 | 7/20 | 0.66 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 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 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL18758237 | 0.88 | NPC1 (0.76) | DRD2DRD3NPC1RAB9AHTT | |
| SCHEMBL17712729 | 0.87 | HDAC3 (0.69) | DRD2NPC1RAB9AHTTMEN1 | |
| SCHEMBL11512132 | 0.87 | DRD2 (0.78) | DRD2DRD3NPC1RAB9AHTT | |
| SCHEMBL20840889 | 0.86 | NPC1 (0.60) | DRD2DRD3NPC1RAB9AHTT | |
| SCHEMBL4041382 | 0.85 | DRD2 (0.71) | DRD2DRD3NPC1RAB9AHTT | |
| SCHEMBL378926 | 0.85 | TSHR (0.59) | DRD2DRD3RAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL18758357 | 0.83 | NPC1 (0.58) | DRD2DRD3NPC1RAB9AHTT | |
| SCHEMBL379199 | 0.82 | NPC1 (0.56) | DRD2DRD3NPC1RAB9AHTT | |
| SCHEMBL17713086 | 0.82 | NPC1 (0.56) | DRD2DRD3NPC1RAB9AHTT | |
| SCHEMBL18453105 | 0.82 | NPC1 (0.52) | DRD2DRD3NPC1RAB9AHTT |
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-1144405-B1 | TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY | ABBOTT GMBH & CO KG (DE) | 2009-11-25 | — | — | EP | disclosed |
| US-6602867-B1 | Triazole compounds with dopamine-D3-receptor affinity | ABBOTT LABORATORIES | 2003-08-05 | — | — | US | disclosed |