Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.44 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24322639 | 1.00 | ALDH1A1 (0.54) | ALDH1A1CYP2C19TSHRLMNAMAPK1 | |
| SCHEMBL13745748 | 0.82 | LMNA (0.59) | ALDH1A1CYP2C19TSHRLMNAMAPK1 | |
| SCHEMBL9763185 | 0.81 | SLC6A1 (0.59) | ALDH1A1TSHRLMNAL3MBTL1HPGD | |
| SCHEMBL5319908 | 0.80 | TSHR (0.50) | ALDH1A1TSHRLMNAMAPK1HPGD | |
| SCHEMBL6185629 | 0.80 | TSHR (0.50) | ALDH1A1TSHRLMNAMAPK1HPGD | |
| SCHEMBL24322606 | 0.80 | TSHR (0.50) | ALDH1A1TSHRLMNAMAPK1HPGD | |
| SCHEMBL11772760 | 0.80 | MAPK1 (0.68) | ALDH1A1CYP2C19TSHRLMNAMAPK1 | |
| SCHEMBL2655363 | 0.80 | SLC6A1 (0.57) | ALDH1A1TSHRLMNAHPGDKMT2A | |
| SCHEMBL20811833 | 0.80 | SLC6A1 (0.57) | ALDH1A1TSHRLMNAHPGDKMT2A | |
| SCHEMBL16584420 | 0.80 | SLC6A1 (0.57) | ALDH1A1TSHRLMNAHPGDKMT2A |
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-2287162-A1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders | Otsuka Pharmaceutical Co., Ltd. (JP) | 2011-02-23 | — | — | EP | disclosed |