Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | CDC25A | P30304 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | CPA1 | P15085 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | CTSG | P08311 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4630258 | 0.83 | KMT2A (0.60) | KMT2AGABRA1GABRB2PDCD1CD274 | |
| SCHEMBL3563149 | 0.81 | PDCD1 (0.50) | KMT2AGABRA1GABRB2PDCD1CD274 | |
| SCHEMBL4395702 | 0.80 | GABRA1 (0.60) | GABRA1GABRB2SLC6A2SLC6A4ELANE | |
| SCHEMBL8679934 | 0.80 | CD274 (0.65) | KMT2AGABRA1GABRB2PDCD1CD274 | |
| Bicarbonate SCHEMBL27541289 | 0.80 | KMT2A (0.68) | KMT2AGABRA1GABRB2PDCD1CD274 | |
| SCHEMBL2416595 | 0.80 | GABRA1 (0.47) | KMT2AGABRA1GABRB2PDCD1CD274 | |
| SCHEMBL28428374 | 0.79 | KMT2A (0.52) | KMT2AGABRA1GABRB2PDCD1CD274 | |
| SCHEMBL3563200 | 0.76 | PDCD1 (0.46) | KMT2APDCD1CD274DPP4FOLH1 | |
| SCHEMBL4630088 | 0.75 | KMT2A (0.40) | KMT2APDCD1CD274CDC25ACDC25B | |
| SCHEMBL8735456 | 0.75 | GABRA1 (0.42) | KMT2AGABRA1GABRB2PDCD1CD274 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2287162-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-05-09 | — | — | EP | disclosed |
| EP-1919907-B9 | HETEROCYCLIC COMPOUND | OTSUKA PHARMA CO LTD (JP) | 2012-01-18 | — | — | EP | disclosed |
| EP-1919907-B1 | HETEROCYCLIC COMPOUND | OTSUKA PHARMA CO LTD (JP) | 2011-02-23 | — | — | EP | disclosed |
| 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 |