Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | ADK | P55263 | 2/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20015814 | 0.86 | LMNA (0.57) | GRM5KCNH2LMNACYP2A6APP | |
| SCHEMBL719360 | 0.86 | LMNA (0.57) | GRM5KCNH2LMNACYP2A6APP | |
| Charcoal, Activated SCHEMBL31286310 | 0.83 | KCNH2 (0.54) | GRM5KCNH2LMNACYP2A6APP | |
| SCHEMBL40632 | 0.83 | — | — | |
| SCHEMBL6606391 | 0.80 | — | — | |
| SCHEMBL29142535 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28508743 | 0.80 | — | — | |
| SCHEMBL4946113 | 0.76 | APP (0.67) | GRM5KCNH2LMNAAPP | |
| SCHEMBL717633 | 0.76 | APP (0.67) | GRM5KCNH2LMNACYP2A6APP | |
| SCHEMBL4452235 | 0.76 | LMNA (0.44) | GRM5KCNH2LMNACYP2A6APP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109377-B2 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-09-19 | — | — | US | disclosed |
| US-6448443-B1 | GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-09-10 | — | — | US | disclosed |