Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.46 |
| ▸ | CACNB1 | Q02641 | 3/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.46 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1781672 | 0.99 | MEN1 (0.46) | KMT2AMEN1NPSR1PKMCACNA2D1 | |
| Hydrochloric Acid SCHEMBL1577927 | 0.88 | ALDH1A1 (0.50) | KMT2AALDH1A1CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL1577835 | 0.86 | ALDH1A1 (0.46) | KMT2AALDH1A1CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL15589881 | 0.83 | HTR1A (0.52) | NPSR1PKMALDH1A1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL1577846 | 0.80 | HSD17B10 (0.44) | ALDH1A1TP53CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL1578323 | 0.80 | KMT2A (0.44) | KMT2AMEN1NPSR1CACNA2D1CACNA1B | |
| SCHEMBL16598992 | 0.78 | HTT (0.67) | KMT2AMEN1NPSR1CACNA2D1CACNA1B | |
| Hydrochloric Acid SCHEMBL15589900 | 0.72 | ALDH1A1 (0.52) | KMT2AALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1577906 | 0.71 | MEN1 (0.64) | KMT2AMEN1OPRM1OPRD1GAA | |
| Hydrochloric Acid SCHEMBL1577908 | 0.71 | MEN1 (0.63) | KMT2AMEN1OPRM1OPRD1GAA |
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-2311828-A1 | BENZOTHIOPHENE ALKANOL PIPERAZINE DERIVATIVES AND THEIR USE AS ANTIDEPRESSANT | CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) | 2011-04-20 | — | — | EP | disclosed |