Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 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 | |
|---|---|---|---|---|
| SCHEMBL12048998 | 0.85 | HCAR2 (0.62) | HCAR2ATMSMYD3KDM4EALDH1A1 | |
| SCHEMBL24576770 | 0.83 | HCAR2 (0.60) | HCAR2ATMSMYD3KDM4EALDH1A1 | |
| SCHEMBL4056048 | 0.79 | ATM (0.59) | HCAR2ATMSMYD3KDM4EALDH1A1 | |
| SCHEMBL12678010 | 0.79 | HCAR2 (0.55) | HCAR2ATMSMYD3KDM4EALDH1A1 | |
| SCHEMBL12677900 | 0.76 | HPGD (0.57) | HCAR2ATMSMYD3ALDH1A1MEN1 | |
| SCHEMBL4196322 | 0.76 | HCAR2 (0.67) | HCAR2ATMSMYD3KDM4EALDH1A1 | |
| SCHEMBL31134038 | 0.76 | HCAR2 (0.67) | HCAR2ATMSMYD3KDM4EALDH1A1 | |
| SCHEMBL17297343 | 0.76 | HCAR2 (0.51) | HCAR2ATMSMYD3KDM4EALDH1A1 | |
| SCHEMBL17297327 | 0.75 | HCAR2 (0.50) | HCAR2ATMSMYD3KDM4EALDH1A1 | |
| SCHEMBL12677914 | 0.75 | HCAR2 (0.50) | HCAR2ATMSMYD3ALDH1A1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2287161-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 |