Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 6/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6518705 | 0.81 | SMAD3 (0.62) | CYP2A6FLT3PDGFRBABL1KIT | |
| SCHEMBL1615647 | 0.80 | CYP2A6 (0.46) | CYP2A6FLT3PDGFRBABL1KIT | |
| SCHEMBL6514221 | 0.76 | XDH (0.57) | CYP2A6FLT3PDGFRBHDAC3HDAC4 | |
| SCHEMBL5315440 | 0.72 | KDM4E (0.45) | CYP2A6FLT3PDGFRBABL1KIT | |
| SCHEMBL12289144 | 0.70 | HRH4 (0.69) | FLT3PDGFRBPDGFRA | |
| SCHEMBL6514473 | 0.69 | KDM4E (0.52) | FLT3PDGFRBKDM4EALDH1A1LMNA | |
| SCHEMBL12777895 | 0.68 | CYP2A6 (0.52) | CYP2A6KIF11HDAC3HDAC4HDAC1 | |
| SCHEMBL4074346 | 0.68 | CYP2A6 (0.53) | CYP2A6KIF11KDM4EALDH1A1HPGD | |
| SCHEMBL378037 | 0.68 | CYP2A6 (0.47) | CYP2A6KIF11HDAC3HDAC4HDAC1 | |
| SCHEMBL8985786 | 0.68 | HSD17B10 (0.56) | CYP2A6KIF11SMAD3F7F3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101006055-B | 3-substituted-5-and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase ie | AVENTIS PHARMA INC | 2011-06-22 | — | — | CN | disclosed |
| CN-101006055-A | 3-substituted-5- and 6-aminoalkyl indole-2-carboxylic acid amides and related analogs as inhibitors of casein kinase iepsilon | AVENTIS PHARMA INC (US) | 2007-07-25 | — | — | CN | disclosed |