Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CPA1 | P15085 | 6/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7763294 | 1.00 | CYP1A2 (0.46) | CYP1A2TSHRCPA1GABBR2GABBR1 | |
| SCHEMBL658742 | 0.84 | GABBR2 (0.48) | CYP1A2TSHRCPA1GABBR2GABBR1 | |
| SCHEMBL30437060 | 0.84 | GABBR2 (0.48) | CYP1A2TSHRCPA1GABBR2GABBR1 | |
| SCHEMBL6477248 | 0.83 | CYP2C9 (0.45) | CPA1HTTALDH1A1LMNAMAPT | |
| SCHEMBL8049606 | 0.79 | NPSR1 (0.55) | CYP1A2TSHRCPA1HTTALDH1A1 | |
| SCHEMBL8045579 | 0.79 | NPSR1 (0.55) | CYP1A2TSHRCPA1HTTALDH1A1 | |
| SCHEMBL8045583 | 0.79 | NPSR1 (0.55) | CYP1A2TSHRCPA1HTTALDH1A1 | |
| SCHEMBL22831452 | 0.79 | GABBR2 (0.58) | CYP1A2TSHRCPA1GABBR2GABBR1 | |
| SCHEMBL29147714 | 0.79 | GABBR2 (0.58) | CYP1A2TSHRCPA1GABBR2GABBR1 | |
| SCHEMBL3179319 | 0.78 | CNR1 (0.48) | CYP1A2TSHRCPA1CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001085716-A1 | 2-PIPERIDONE COMPOUNDS FOR THE TREATMENT OF CANCER | KYOWA HAKKO KOGYO CO., LTD (JP) | 2001-11-15 | — | — | WO | disclosed |