Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5103341 | 0.81 | MMP3 (0.44) | MMP3CSNK2A1LMNAADORA2AADORA1 | |
| SCHEMBL29018975 | 0.81 | MMP3 (0.44) | ALDH1A1MMP3CSNK2A1LMNAFLT3 | |
| SCHEMBL396207 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HSD17B10MMP3FLT3TNF | |
| SCHEMBL12050457 | 0.79 | ESR2 (0.49) | ALDH1A1HSD17B10MMP3CSNK2A1LMNA | |
| SCHEMBL17892098 | 0.79 | CSNK2A1 (0.62) | ALDH1A1HSD17B10MMP3CSNK2A1LMNA | |
| Methane SCHEMBL7037141 | 0.79 | MMP3 (0.42) | MMP3CSNK2A1LMNAADORA2AADORA1 | |
| SCHEMBL3783312 | 0.78 | CSNK2A1 (0.65) | ALDH1A1HSD17B10CSNK2A1DPP4BACE1 | |
| SCHEMBL3786057 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CSNK2A1BACE1 | |
| SCHEMBL28171242 | 0.77 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CSNK2A1LMNABACE1 | |
| SCHEMBL13957118 | 0.77 | CSNK2A1 (0.49) | ALDH1A1HSD17B10CSNK2A1KDM4EDPP4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101891680-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-29 | — | — | CN | disclosed |
| CN-103641765-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2014-03-19 | — | — | CN | disclosed |
| 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-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |