Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.45 |
| ▸ | CNR2 | P34972 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14658506 | 1.00 | CNR1 (0.45) | CNR1CNR2CYP2C9FAAHMGLL | |
| SCHEMBL2253959 | 0.94 | GAA (0.47) | CNR1CNR2CYP2C9HTR1BGAA | |
| SCHEMBL15411587 | 0.89 | CNR1 (0.41) | CNR1CNR2HTR1BGAATDP1 | |
| SCHEMBL1452144 | 0.82 | ALOX5 (0.37) | HTR1BTDP1MEN1KMT2AKDM4E | |
| SCHEMBL2496910 | 0.81 | NCF1 (0.43) | HTR1BGAATDP1L3MBTL1HTR1D | |
| SCHEMBL2498963 | 0.81 | KDM1A (0.39) | HTR1BHTR1DSLC6A4ALDH1A1 | |
| SCHEMBL2252059 | 0.80 | LTA4H (0.40) | CNR1CNR2CYP2C9HTR1BGAA | |
| SCHEMBL891083 | 0.79 | HTR1B (0.54) | HTR1BGAATDP1HTR1DLTA4H | |
| SCHEMBL2502705 | 0.78 | KMT2A (0.34) | HTR1BL3MBTL1HTR1DMEN1KMT2A | |
| SCHEMBL15412238 | 0.77 | SLC6A4 (0.35) | CNR1CNR2CYP2C9HTR1BGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2284169-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-03-14 | — | — | 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 |