Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C18 | P33260 | 13/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 12/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 10/20 | 1.00 |
| ▸ | CYP2C8 | P10632 | 12/20 | 0.79 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.46 |
| ▸ | C1R | P00736 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3849461 | 0.88 | CYP2C18 (1.00) | CYP2C18CYP2C9CYP2C19CYP2C8C1R | |
| SCHEMBL3845016 | 0.72 | CYP2C18 (1.00) | CYP2C18CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL3822617 | 0.71 | CA12 (1.00) | CA12CA9C5AR1MAPTMCOLN3 | |
| SCHEMBL3847126 | 0.70 | CYP2C18 (1.00) | CYP2C18CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL8553556 | 0.69 | CYP2C9 (0.70) | CYP2C18CYP2C9CYP2C19CYP2C8ALDH1A1 | |
| SCHEMBL11910521 | 0.68 | CA12 (0.86) | CA12CA9C5AR1MAPTMCOLN3 | |
| SCHEMBL2841054 | 0.67 | CYP2C18 (0.50) | CYP2C18CYP2C9CYP2C19CYP2C8CA12 | |
| SCHEMBL15834271 | 0.66 | CYP2C9 (0.69) | CYP2C18CYP2C9CYP2C19CYP2C8ALDH1A1 | |
| SCHEMBL14973952 | 0.65 | CYP2C18 (0.48) | CYP2C18CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL7150548 | 0.65 | C5AR1 (0.83) | CYP2C18CYP2C9CYP2C19CA12CA9 |
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 |