Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
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 | 0.95 | GPR84 (0.41) | TSHRHSD11B1GAAHTTGPR84 | |
| SCHEMBL4661287 | 0.93 | CNR1 (0.40) | TSHRHSD11B1GAAHTTGPR84 | |
| SCHEMBL28387333 | 0.69 | PTPN1 (0.46) | TSHRHSD11B1MEN1KMT2APTPN1 | |
| SCHEMBL27948004 | 0.68 | PSMB5 (0.49) | TSHRHSD11B1PSMB5HTT | |
| SCHEMBL27876741 | 0.67 | GCGR (0.49) | TSHRHSD11B1PSMB5GPR84CNR2 | |
| Biphenyl SCHEMBL15347228 | 0.66 | ALDH1A1 (0.56) | TSHRHSD11B1GAAHTTGPR84 | |
| Biphenyl SCHEMBL5868585 | 0.66 | ALDH1A1 (0.56) | TSHRHSD11B1GAAGPR84 | |
| SCHEMBL28854031 | 0.66 | ALDH1A1 (0.36) | TSHRHSD11B1SIGMAR1 | |
| Biphenyl SCHEMBL27954388 | 0.66 | LIPG (0.48) | TSHRHSD11B1GPR84TLR8 | |
| SCHEMBL11513697 | 0.66 | HSD11B1 (0.50) | HSD11B1PSMB5GAAHTTGPR84 |
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 |