Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 7/20 | 0.52 |
| ▸ | PPARA | Q07869 | 14/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.51 |
| ▸ | PPARD | Q03181 | 5/20 | 0.49 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.48 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.48 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.48 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.48 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.48 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20125593 | 0.93 | PPARA (0.61) | PPARGPPARAPTPN1PPARDPSEN1 | |
| SCHEMBL3922 | 0.93 | PPARA (0.61) | PPARGPPARAPTPN1PPARDPSEN1 | |
| SCHEMBL29358494 | 0.93 | PPARA (0.61) | PPARGPPARAPTPN1PPARDPSEN1 | |
| SCHEMBL14379043 | 0.93 | PPARA (0.61) | PPARGPPARAPTPN1PPARDPSEN1 | |
| SCHEMBL7454210 | 0.85 | PPARG (0.56) | PPARGPPARAPPARDPSEN1PSEN2 | |
| SCHEMBL7465714 | 0.85 | PPARG (0.50) | PPARGPPARAPPARDPSEN1PSEN2 | |
| SCHEMBL6502439 | 0.85 | PPARD (0.61) | PPARGPPARAPTPN1PPARD | |
| SCHEMBL7462895 | 0.84 | PPARA (0.52) | PPARGPPARAPTPN1PPARDPSEN1 | |
| SCHEMBL3974261 | 0.84 | PPARG (0.55) | PPARGPPARAPPARDPSEN1PSEN2 | |
| SCHEMBL6506168 | 0.84 | PPARD (0.61) | PPARGPPARAPTPN1PPARD |
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 |