Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL607513 | 0.80 | GRIN2D (0.41) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL27998988 | 0.78 | TYR (0.46) | ALDH1A1MAPTHTTALOX15CASP7 | |
| SCHEMBL8750577 | 0.76 | NOS3 (0.38) | NOS3NOS1NOS2GRIN2DGRIN3B | |
| SCHEMBL396816 | 0.75 | CASP1 (0.50) | ALDH1A1POLBMAPTHTTALOX15 | |
| SCHEMBL29414153 | 0.75 | CASP1 (0.50) | ALDH1A1POLBMAPTHTTALOX15 | |
| SCHEMBL4826085 | 0.75 | GRIN2D (0.36) | ALDH1A1MAPTGRIN2DGRIN3BGRIN1 | |
| SCHEMBL5491963 | 0.75 | CASP1 (0.50) | ALDH1A1POLBMAPTHTTALOX15 | |
| SCHEMBL16950526 | 0.74 | GRIN2D (0.44) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL16958228 | 0.74 | RIPK1 (0.33) | MAPTGRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL16958518 | 0.74 | GABRA1 (0.39) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101935301-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2013-10-16 | — | — | CN | disclosed |
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101472937-A | Benzylphenylglucopyranoside Derivatives | DAIICHI SANKYO CO LTD (JP) | 2009-07-01 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |