Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11272440 | 0.88 | — | — | |
| SCHEMBL27881959 | 0.82 | — | — | |
| SCHEMBL7247266 | 0.79 | MEN1 (0.36) | CYP2D6MEN1KMT2ACYP2C19CHRNB2 | |
| SCHEMBL11256813 | 0.75 | — | — | |
| SCHEMBL23085581 | 0.71 | KDM1A (0.40) | CYP2D6MEN1KMT2ACYP2C19CHRNB2 | |
| SCHEMBL28164961 | 0.71 | KDM1A (0.40) | CYP2D6MEN1KMT2ACYP2C19CHRNB2 | |
| SCHEMBL28230306 | 0.70 | THRB (0.35) | MEN1KMT2A | |
| SCHEMBL15747950 | 0.68 | MEN1 (0.46) | CYP2D6MEN1KMT2ACYP2C19CHRNB2 | |
| SCHEMBL15415280 | 0.67 | — | — | |
| SCHEMBL7673446 | 0.67 | MEN1 (0.62) | CYP2D6MEN1KMT2ACYP2C19CHRNB2 |
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-103012264-B | The method for splitting of 3 substituted-amino hexahydro 1H azepans | 常州亚邦制药有限公司 | 2018-01-19 | — | — | CN | claimed |
| CN-105524046-B | The method for preparing azole compounds | 武田药品工业株式会社 | 2019-03-29 | — | — | CN | disclosed |
| CN-104981470-B | Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use | 拜耳制药股份公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-105899510-A | Substituted imidazo[1,2-a]pyrazinecarboxamides and use thereof | 拜耳制药股份公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-104211618-B | The method preparing azole compounds | 武田药品工业株式会社 | 2016-08-17 | — | — | CN | disclosed |