Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 2/20 | 0.82 |
| ▸ | HTT | P42858 | 1/20 | 0.82 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.70 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | GFER | P55789 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8301611 | 0.90 | MAPK14 (1.00) | MAPK14HTTHDAC1HDAC6ALDH1A1 | |
| SCHEMBL8439563 | 0.86 | MAPK14 (0.82) | MAPK14HTTHDAC1HDAC6ALDH1A1 | |
| SCHEMBL8445048 | 0.86 | MAPK14 (0.82) | MAPK14HTTHDAC1HDAC6ALDH1A1 | |
| SCHEMBL12918551 | 0.83 | MAPK14 (0.77) | MAPK14HTTHDAC1HDAC6ALDH1A1 | |
| SCHEMBL29335990 | 0.80 | MAPK14 (0.73) | MAPK14HTTHDAC1HDAC6ALDH1A1 | |
| SCHEMBL16598785 | 0.79 | MAPK14 (0.78) | MAPK14HTTHDAC1HDAC6ALDH1A1 | |
| SCHEMBL16599095 | 0.78 | RGS12 (0.78) | MAPK14HTTHDAC1HDAC6ALDH1A1 | |
| SCHEMBL8573225 | 0.78 | MAPK14 (0.77) | MAPK14HTTHDAC1HDAC6ALDH1A1 | |
| SCHEMBL14456832 | 0.78 | CYP2D6 (0.59) | HTTALDH1A1KMT2ALMNADRD2 | |
| SCHEMBL8436827 | 0.77 | MAPK14 (0.75) | MAPK14HTTHDAC1HDAC6ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0922042-A1 | NOVEL PIPERAZINE CONTAINING COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-06-16 | — | — | EP | disclosed |
| WO-1998006715-A1 | NOVEL PIPERAZINE CONTAINING COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-19 | — | — | WO | disclosed |