Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.31 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27786505 | 0.89 | CSNK1D (0.40) | MAPK14MAPK11CSNK1DALDH1A1MET | |
| SCHEMBL2966669 | 0.84 | RET (0.44) | MAPTALDH1A1RET | |
| SCHEMBL4444286 | 0.81 | CCR1 (0.38) | ADRA2BCCR1MAPTNPSR1SMN1; SMN2 | |
| SCHEMBL27786498 | 0.80 | TRPV1 (0.34) | ADRA2BMAPTSMN1; SMN2TRPV1ALDH1A1 | |
| SCHEMBL27786501 | 0.79 | TACR1 (0.34) | ADRA2BCCR1MAPTDRD2ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27764702 | 0.76 | ADRA2B (0.38) | ADRA2BDRD2HTR6MAPK14MAPK11 | |
| SCHEMBL27764680 | 0.75 | CSNK1D (0.41) | MAPK14MAPK11CSNK1DALDH1A1MET | |
| SCHEMBL2955406 | 0.75 | CKS1B (0.44) | RET | |
| SCHEMBL27786492 | 0.74 | SLC6A9 (0.45) | MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL2958371 | 0.74 | CKS1B (0.55) | MAPTALDH1A1METRET |
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-101605764-B | Fast dissociating dopamine 2 receptor antagonists | JANSSEN PHARMACEUTICA NV | 2013-06-19 | — | — | CN | disclosed |
| CN-101605764-A | Fast dissociating dopamine 2 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2009-12-16 | — | — | CN | disclosed |