Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.35 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.31 |
| ▸ | WDR77 | Q9BQA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL896742 | 1.00 | CYP2C9 (0.37) | CYP2C9CHRNB2CHRNA4CHRNA6KDM1A | |
| SCHEMBL3381144 | 0.82 | CYP2C9 (0.53) | CYP2C9 | |
| SCHEMBL9227422 | 0.82 | CYP2C9 (0.52) | CYP2C9 | |
| SCHEMBL9226291 | 0.82 | CYP2C9 (0.52) | CYP2C9 | |
| SCHEMBL10034496 | 0.75 | CYP2C9 (0.36) | CYP2C9 | |
| SCHEMBL6481793 | 0.71 | MAOA (0.34) | CYP2C9KDM1APDE2A | |
| SCHEMBL8787879 | 0.70 | CYP2C9 (0.51) | CYP2C9 | |
| SCHEMBL8435843 | 0.69 | CYP2C9 (0.46) | CYP2C9 | |
| SCHEMBL6476381 | 0.69 | SLC6A2 (0.35) | PDE2A | |
| SCHEMBL10207815 | 0.68 | ATP4A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8793078-B2 | Method for predicting activation energy using atomic fingerprint descriptor or atomic descriptor | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2014-07-29 | — | — | US | disclosed |
| US-20120084012-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING ATOMIC FINGERPRINT DESCRIPTOR OR ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2012-04-05 | — | — | US | disclosed |
| US-20110213558-A1 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | BIOINFORMATICS & MOLECULAR DESIGN RESEARCH CENTER (KR) | 2011-09-01 | — | — | US | disclosed |
| EP-2354987-A2 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | Bioinformatics&Molecular Design Research Center (KR) | 2011-08-10 | — | — | EP | disclosed |
| WO-2010056053-A2 | METHOD FOR PREDICTING ACTIVATION ENERGY USING AN ATOMIC FINGERPRINT DESCRIPTOR OR AN ATOMIC DESCRIPTOR | 사단법인 분자설계연구소 (KR) | 2010-05-20 | — | — | WO | disclosed |