Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 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 | |
|---|---|---|---|---|
| SCHEMBL4630786 | 0.79 | CA1 (0.36) | ALDH1A1HTT | |
| SCHEMBL4629917 | 0.74 | CA1 (0.41) | MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL4630452 | 0.72 | CTSK (0.48) | L3MBTL1KMT2A | |
| SCHEMBL3469200 | 0.71 | — | — | |
| SCHEMBL7451803 | 0.70 | LMNA (0.36) | — | |
| SCHEMBL776312 | 0.69 | L3MBTL1 (0.48) | SMN1; SMN2L3MBTL1MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL2752779 | 0.69 | SMN1; SMN2 (0.69) | SMN1; SMN2MTNR1AMTNR1BALDH1A1KMT2A | |
| SCHEMBL4630066 | 0.69 | SIGMAR1 (0.35) | ALDH1A1MEN1KMT2ASIGMAR1 | |
| SCHEMBL931479 | 0.68 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL11804456 | 0.68 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9AALDH1A1KMT2A |
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 |