Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CPS1 | P31327 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8490848 | 0.85 | NPC1 (0.36) | NPC1ALDH1A1CASP3SENP8SENP7 | |
| SCHEMBL8524815 | 0.84 | NPC1 (0.35) | NPC1ALDH1A1CASP3SENP8SENP7 | |
| SCHEMBL8388765 | 0.80 | PDE4D (0.36) | NPC1HPGDALDH1A1RAB9ADRD2 | |
| SCHEMBL6441958 | 0.79 | MEP1B (0.34) | NPC1MEP1BMTNR1BHPGDALDH1A1 | |
| SCHEMBL6442203 | 0.76 | NPC1 (0.31) | NPC1 | |
| SCHEMBL9069942 | 0.76 | DRD2 (0.39) | HPGDPKMALDH1A1L3MBTL1DRD2 | |
| SCHEMBL6218613 | 0.75 | TDP1 (0.44) | MEP1BHPGDALDH1A1RAB9A | |
| SCHEMBL8389663 | 0.75 | SMN1; SMN2 (0.36) | NPC1HPGDALDH1A1RAB9A | |
| SCHEMBL8308298 | 0.75 | — | — | |
| SCHEMBL6441213 | 0.74 | ALDH1A1 (0.32) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1066237-B1 | PROCESSES FOR PREPARING INTERMEDIATES | BAYER CROPSCIENCE SA (FR) | 2005-07-20 | — | — | EP | disclosed |
| US-6642418-B1 | 1,3-dione compounds from beta keto esters | AVENTIS CROPSCIENCE SA (FR) | 2003-11-04 | — | — | US | disclosed |
| WO-1999003856-A1 | 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES | RHONE-POULENC AGRICULTURE LIMITED (GB) | 1999-01-28 | — | — | WO | disclosed |