Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4659945 | 0.98 | GPR84 (0.41) | CNR1PTPN1GPR84DHFRCNR2 | |
| SCHEMBL4662723 | 0.93 | TSHR (0.39) | CNR1PTPN1GPR84CNR2GAA | |
| SCHEMBL13974896 | 0.71 | PTPN1 (0.55) | CNR1PTPN1GPR84HSD11B1 | |
| Biphenyl SCHEMBL27342649 | 0.71 | ALDH1A1 (0.53) | GPR84HTTMAPTTSHR | |
| Biphenyl SCHEMBL5868587 | 0.71 | ALDH1A1 (0.53) | GPR84HTTMAPTTSHR | |
| Hexadecane SCHEMBL8524813 | 0.71 | ALDH1A1 (0.53) | GPR84HTTMAPTTSHR | |
| Biphenyl SCHEMBL27853080 | 0.71 | ALDH1A1 (0.53) | GPR84HTTMAPTTSHR | |
| Dodecane SCHEMBL27916009 | 0.71 | ALDH1A1 (0.53) | GPR84HTTMAPTTSHR | |
| SCHEMBL28111153 | 0.69 | GCGR (0.58) | GPR84DHFRHSD11B1KCNH2LIPG | |
| Biphenyl SCHEMBL15347228 | 0.69 | ALDH1A1 (0.56) | GPR84GAAHTTHSD11B1MAPT |
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-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |