Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| SCHEMBL3330972 | 0.79 | NR1H4 (0.41) | PARP1AOC3MAOB | |
| SCHEMBL5382942 | 0.77 | METTL3 (0.43) | PARP1AOC3MAOBCYP2A6 | |
| SCHEMBL2467564 | 0.73 | HTR2A (0.49) | PARP1 | |
| SCHEMBL9704857 | 0.72 | DRD2 (0.50) | — | |
| SCHEMBL29688552 | 0.71 | MAOB (0.49) | AOC3MAOBHRH4HRH3MAPT | |
| SCHEMBL1237690 | 0.71 | MAOB (0.49) | AOC3MAOBHRH4HRH3MAPT | |
| SCHEMBL7866443 | 0.71 | CHRNB2 (0.41) | AOC3NPC1RAB9ALOXL2FLT3 | |
| SCHEMBL4559567 | 0.71 | HDAC8 (0.48) | HRH4HRH3LOXL2 | |
| SCHEMBL1637550 | 0.70 | SLC6A2 (0.49) | MAOBKDM4E | |
| SCHEMBL2243349 | 0.70 | PARP1 (0.55) | PARP1AOC3NPC1RAB9AALDH1A1 |
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-0648766-A1 | AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM, METHOD FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH AGENT | VITA-INVEST, S.A. (ES) | 1995-04-19 | — | — | EP | disclosed |
| WO-1994025454-A1 | AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM, METHOD FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH AGENT | VITA-INVEST, S.A. (ES) | 1994-11-10 | — | — | WO | disclosed |