Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 8/20 | 0.38 |
| ▸ | MAOA | P21397 | 5/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 6/20 | 0.37 |
| ▸ | CA4 | P22748 | 6/20 | 0.37 |
| ▸ | CA9 | Q16790 | 6/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4741234 | 0.88 | GSTP1 (0.36) | GSTP1MAOBMAOAACHECA12 | |
| SCHEMBL15747176 | 0.80 | MAOB (0.44) | GSTP1MAOBMAOAACHECA12 | |
| SCHEMBL3204571 | 0.78 | GSTP1 (0.52) | GSTP1MAOBMAOAACHECA12 | |
| SCHEMBL4677229 | 0.77 | GSTP1 (0.42) | GSTP1MAOBMAOAACHECA12 | |
| SCHEMBL1477458 | 0.77 | GSTP1 (0.44) | GSTP1MAOBMAOAACHECA12 | |
| SCHEMBL18761828 | 0.76 | GSTP1 (0.49) | GSTP1MAOBMAOAACHECA12 | |
| SCHEMBL21718877 | 0.76 | MAOB (0.38) | GSTP1MAOBMAOAACHECA12 | |
| SCHEMBL15940050 | 0.73 | GSTP1 (0.42) | GSTP1MAOBMAOAACHECA12 | |
| SCHEMBL16395258 | 0.72 | MAOB (0.38) | GSTP1MAOBMAOAACHECA12 | |
| SCHEMBL21718941 | 0.72 | KDM4E (0.49) | GSTP1MAOBMAOAACHECA12 |
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-1343775-B1 | PIPERAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-06-04 | — | — | EP | claimed |