Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1395382 | 0.80 | NQO1 (0.58) | NQO1CA12CA1CA9CYP3A4 | |
| SCHEMBL28695610 | 0.79 | NQO1 (0.53) | NQO1CA12CA1CA9CYP3A4 | |
| SCHEMBL3210892 | 0.79 | NQO1 (0.56) | NQO1CA12CA1CA9CYP3A4 | |
| SCHEMBL15953090 | 0.79 | NQO1 (0.61) | NQO1CA12CA1CA9CYP3A4 | |
| SCHEMBL8372531 | 0.77 | HSD17B3 (0.62) | NQO1CA12CA1CA9CYP3A4 | |
| SCHEMBL22265905 | 0.75 | ALDH1A1 (0.68) | CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Propane SCHEMBL27925750 | 0.75 | MAOA (0.68) | NQO1CA12CA1CA9CYP3A4 | |
| SCHEMBL28349594 | 0.75 | NQO1 (0.51) | NQO1CA12CA1CA9CYP3A4 | |
| SCHEMBL5448055 | 0.75 | NQO1 (0.51) | NQO1CA12CA1CA9CYP3A4 | |
| SCHEMBL1414225 | 0.75 | ALDH1A1 (0.71) | NQO1CA12CA1CA9CYP3A4 |
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-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 |