Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1243297 | 0.85 | HPGD (0.41) | CHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL27930152 | 0.81 | CHRNB2 (0.46) | CHRNB2CHRNA4KDM4EPOLBTP53 | |
| SCHEMBL28290433 | 0.80 | KDM4E (0.55) | CHRNB2CHRNA4KDM4EPOLBTP53 | |
| SCHEMBL4900649 | 0.79 | KDM4E (0.51) | CHRNB2CHRNA4KDM4EPOLBTP53 | |
| SCHEMBL31297396 | 0.77 | CHRNB2 (0.44) | CHRNB2CHRNA4KDM4EPOLBTP53 | |
| SCHEMBL1244394 | 0.75 | DDB1 (0.42) | KDM4EALDH1A1LMNA | |
| SCHEMBL4630092 | 0.74 | MAPT (0.39) | CHRNB2CHRNA4KDM4EPOLBALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28290431 | 0.72 | KDM4E (0.47) | CHRNB2CHRNA4KDM4EPOLBTP53 | |
| SCHEMBL4629966 | 0.72 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRM2CHRM1CHRM3 | |
| SCHEMBL31256877 | 0.71 | CHRNB2 (0.72) | CHRNB2CHRNA4KDM4EALDH1A1 |
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 |