Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL897302 | 1.00 | CHRNB2 (0.34) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL897301 | 1.00 | CHRNB2 (0.34) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL9831661 | 0.95 | CYP1A2 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL12243010 | 0.95 | CHRNB2 (0.34) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL10519781 | 0.95 | CYP1A2 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL21129873 | 0.92 | CYP1A2 (0.42) | CHRNB2CHRNA7CHRNA4CYP1A2 | |
| SCHEMBL21120996 | 0.92 | CYP1A2 (0.42) | CHRNB2CHRNA7CHRNA4CYP1A2 | |
| SCHEMBL6111083 | 0.92 | CYP1A2 (0.42) | CHRNB2CHRNA7CHRNA4CYP1A2 | |
| SCHEMBL12388313 | 0.92 | CYP1A2 (0.38) | CHRNB2CHRNA7CHRNA4CYP1A2TDP1 | |
| SCHEMBL12243011 | 0.90 | CYP1A2 (0.41) | CHRNB2CHRNA7CHRNA4CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103265477-B | Aminoheteroaryl compounds as protein kinase inhibitors | 苏根公司 | 2017-01-11 | — | — | CN | disclosed |
| CN-102459172-B | Tetracyclic compound | CHUGAI PHARMACEUTICAL CO LTD | 2015-06-24 | — | — | CN | disclosed |
| WO-2002096361-A2 | 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS | SUGEN, INC. (US) | 2002-12-05 | — | — | WO | disclosed |