Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 5/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | ACACB | O00763 | 9/20 | 0.50 |
| ▸ | ACACA | Q13085 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8303836 | 0.80 | ALOX5 (0.79) | ALOX5EPHX2ACACBACACA | |
| SCHEMBL8303838 | 0.80 | ALOX5 (0.79) | ALOX5EPHX2ACACBACACA | |
| SCHEMBL15806339 | 0.77 | ALOX5 (0.65) | ALOX5EPHX2ACACBACACALMNA | |
| SCHEMBL8304304 | 0.74 | ALOX5 (0.77) | ALOX5EPHX2ACACBACACA | |
| SCHEMBL15803494 | 0.71 | ALOX5 (0.57) | ALOX5EPHX2ACACBACACALMNA | |
| SCHEMBL8309174 | 0.71 | ALOX5 (0.76) | ALOX5EPHX2ACACBACACA | |
| SCHEMBL8309173 | 0.71 | ALOX5 (0.76) | ALOX5EPHX2ACACBACACA | |
| SCHEMBL2109638 | 0.68 | ALOX5 (0.80) | ALOX5EPHX2ACACBACACAMEN1 | |
| SCHEMBL2109641 | 0.68 | ALOX5 (0.80) | ALOX5EPHX2ACACBACACAMEN1 | |
| Atreleuton SCHEMBL504818 | 0.68 | ALOX5 (1.00) | ALOX5EPHX2ACACBACACA |
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 |