Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14340905 | 0.91 | SMO (0.42) | SMOKDM4EHSD17B10CYP3A4CYP2C9 | |
| SCHEMBL14340772 | 0.88 | SMO (0.46) | SMOKDM4EHSD17B10CYP3A4CYP2C9 | |
| SCHEMBL14340776 | 0.87 | SMO (0.46) | SMOKDM4EHSD17B10CYP3A4CYP2C9 | |
| SCHEMBL14340920 | 0.86 | SMO (0.43) | SMOKDM4EHSD17B10CYP3A4CYP2C9 | |
| SCHEMBL14340882 | 0.86 | SMO (0.43) | SMOKDM4EHSD17B10CYP3A4CYP2C9 | |
| SCHEMBL14340892 | 0.86 | SMO (0.42) | SMOKDM4EHSD17B10CYP3A4CYP2C9 | |
| SCHEMBL14340769 | 0.86 | SMO (0.44) | SMOKDM4EHSD17B10CYP3A4CYP2C9 | |
| SCHEMBL14340767 | 0.86 | SMO (0.42) | SMOKDM4EHSD17B10CYP3A4CYP2C9 | |
| SCHEMBL14340885 | 0.85 | SMO (0.42) | SMOKDM4EHSD17B10CYP3A4CYP2C9 | |
| SCHEMBL14340870 | 0.85 | SMO (0.42) | SMOKDM4EHSD17B10CYP3A4CYP2C9 |
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-1870401-A1 | 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-12-26 | — | — | EP | disclosed |