Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | GCGR | P47871 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4661287 | 0.98 | CNR1 (0.40) | GPR84CNR1CNR2GAAHTT | |
| SCHEMBL4662723 | 0.95 | TSHR (0.39) | GPR84CNR1CNR2GAAHTT | |
| Biphenyl SCHEMBL15347228 | 0.70 | ALDH1A1 (0.56) | GPR84GAAHTTHSD11B1TSHR | |
| SCHEMBL13974896 | 0.69 | PTPN1 (0.55) | GPR84CNR1HSD11B1PTPN1 | |
| SCHEMBL19215836 | 0.68 | PTGS2 (0.36) | GPR84GAAHTTTSHRPTPN1 | |
| SCHEMBL5614129 | 0.68 | SIGMAR1 (0.53) | CNR1GAAHTTPTPN1SIGMAR1 | |
| Biphenyl SCHEMBL27853080 | 0.68 | ALDH1A1 (0.53) | GPR84HTTTSHRMAPTTP53 | |
| Biphenyl SCHEMBL5868587 | 0.68 | ALDH1A1 (0.53) | GPR84HTTTSHRMAPTTP53 | |
| Biphenyl SCHEMBL27342649 | 0.68 | ALDH1A1 (0.53) | GPR84HTTTSHRMAPTTP53 | |
| Hexadecane SCHEMBL8524813 | 0.68 | ALDH1A1 (0.53) | GPR84HTTTSHRMAPTTP53 |
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 |