Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4662723 | 0.89 | TSHR (0.39) | TSHRADORA1GAA | |
| SCHEMBL4659945 | 0.87 | GPR84 (0.41) | SMN1; SMN2TSHRMAPTGAATP53 | |
| SCHEMBL4661287 | 0.86 | CNR1 (0.40) | TSHRMAPTGAA | |
| SCHEMBL28854031 | 0.69 | ALDH1A1 (0.36) | ALDH1A1TSHRL3MBTL1TAAR1 | |
| SCHEMBL5679087 | 0.66 | — | — | |
| SCHEMBL12992395 | 0.64 | HSD17B10 (0.39) | HPGDKDM4EALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL27975915 | 0.64 | ALDH1A1 (0.47) | CTSKHPGDKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL9235448 | 0.64 | SIGMAR1 (0.50) | — | |
| SCHEMBL27365101 | 0.64 | BACE1 (0.38) | KDM4EALDH1A1NPC1RAB9ATSHR | |
| Biphenyl SCHEMBL967556 | 0.63 | ALDH1A1 (0.64) | HPGDKDM4EALDH1A1SMN1; SMN2NPC1 |
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 |