Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | DRD2 | P14416 | 3/20 | 0.60 |
| ▸ | DRD4 | P21917 | 3/20 | 0.60 |
| ▸ | DRD3 | P35462 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | USP2 | O75604 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL27927131 | 0.80 | ALDH1A1 (0.69) | HTTALDH1A1MAPTL3MBTL1DRD4 | |
| SCHEMBL27909344 | 0.80 | HTT (0.66) | HTTALDH1A1MAPTL3MBTL1DRD4 | |
| SCHEMBL12359539 | 0.78 | DRD2 (0.67) | ALDH1A1DRD2DRD4DRD3SMN1; SMN2 | |
| SCHEMBL10339000 | 0.78 | DRD2 (0.66) | ALDH1A1MAPTDRD2DRD4DRD3 | |
| SCHEMBL10245276 | 0.78 | DRD2 (0.63) | ALDH1A1L3MBTL1DRD2DRD4DRD3 | |
| SCHEMBL16900140 | 0.77 | DRD2 (0.62) | HTTALDH1A1L3MBTL1DRD2DRD4 | |
| SCHEMBL27909443 | 0.77 | KCNA5 (0.60) | HTTALDH1A1MAPTL3MBTL1CYP1A2 | |
| SCHEMBL1308298 | 0.76 | DRD2 (0.64) | ALDH1A1L3MBTL1DRD2DRD4DRD3 | |
| SCHEMBL656126 | 0.76 | DRD2 (0.63) | ALDH1A1L3MBTL1DRD2DRD4DRD3 | |
| SCHEMBL19231570 | 0.76 | DRD2 (0.60) | ALDH1A1DRD2DRD4DRD3CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103130745-A | Diaryl-piperazines compound and medical application thereof | INST PHARM & TOXICOLOGY AMMS | 2013-06-05 | — | — | CN | claimed |
| CN-103130745-A | Diaryl-piperazines compound and medical application thereof | INST PHARM & TOXICOLOGY AMMS | 2013-06-05 | — | — | CN | disclosed |