Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 5/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 5/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.37 |
| ▸ | NMT1 | P30419 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL6206052 | 0.81 | NCF1 (0.66) | NCF1SLC22A12HSD17B10MEN1GAA | |
| SCHEMBL731691 | 0.80 | NCF1 (0.74) | NCF1HTTADRB2SLC22A12CHKA | |
| SCHEMBL3849006 | 0.78 | NCF1 (1.00) | NCF1HTTADRB2PIM1PIM3 | |
| SCHEMBL22715673 | 0.76 | NCF1 (0.76) | NCF1HTTADRB2SLC22A12CHKA | |
| SCHEMBL29472100 | 0.76 | NCF1 (0.76) | NCF1HTTADRB2SLC22A12CHKA | |
| SCHEMBL3847734 | 0.72 | NCF1 (0.70) | NCF1HTTADRB2SLC22A12PKM | |
| SCHEMBL1543989 | 0.70 | NCF1 (0.70) | NCF1HTTADRB2CHKAPKM | |
| SCHEMBL31737749 | 0.68 | NCF1 (0.50) | NCF1ADRB2MAPT | |
| SCHEMBL21190487 | 0.68 | NCF1 (0.67) | NCF1HTTADRB2SLC22A12CHKA | |
| SCHEMBL30734145 | 0.68 | NCF1 (0.67) | NCF1HTTADRB2MEN1GAA |
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-1537121-A1 | ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS | Wyeth (US) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004024731-A1 | ANTIDEPRESSANT ARYLPIPERAZINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS | WYETH (US) | 2004-03-25 | — | — | WO | disclosed |