Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 3/20 | 0.57 |
| ▸ | CTSS | P25774 | 4/20 | 0.54 |
| ▸ | PPARG | P37231 | 2/20 | 0.52 |
| ▸ | SYK | P43405 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 4/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | KLK7 | P49862 | 4/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | ACE | P12821 | 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 | |
|---|---|---|---|---|
| SCHEMBL19400181 | 1.00 | PPARA (0.57) | PPARACTSSPPARGSYKCTSK | |
| SCHEMBL24946320 | 1.00 | PPARA (0.57) | PPARACTSSPPARGSYKCTSK | |
| SCHEMBL30731784 | 0.88 | PPARA (0.56) | PPARACTSSPPARGSYKCTSK | |
| SCHEMBL1093849 | 0.88 | PPARA (0.56) | PPARACTSSPPARGSYKCTSK | |
| SCHEMBL1093854 | 0.88 | PPARA (0.56) | PPARACTSSPPARGSYKCTSK | |
| SCHEMBL9854723 | 0.88 | PPARA (0.56) | PPARACTSSPPARGSYKCTSK | |
| SCHEMBL22433357 | 0.86 | PPARA (0.57) | PPARACTSSPPARGSYKCTSK | |
| SCHEMBL3881683 | 0.86 | CTSS (0.65) | PPARACTSSPPARGSYKCTSK | |
| SCHEMBL22433663 | 0.86 | PPARA (0.57) | PPARACTSSPPARGSYKCTSK | |
| SCHEMBL22433665 | 0.86 | PPARA (0.57) | PPARACTSSPPARGSYKCTSK |
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 |
|---|---|---|---|---|---|---|---|
| CN-101448821-B | Carboxamide spirolactam cgrp receptor antagonists | MERCK SHARP & DOHME | 2013-03-27 | — | — | CN | disclosed |
| CN-101072771-B | Cgrp receptor antagonists | MERCK & CO INC | 2010-09-29 | — | — | CN | disclosed |
| CN-101448821-A | Carboxamide spirolactam cgrp receptor antagonists | MERCK & CO INC (US) | 2009-06-03 | — | — | CN | disclosed |
| CN-101072771-A | Cgrp receptor antagonists | MERCK & CO INC (US) | 2007-11-14 | — | — | CN | disclosed |
| CN-101068595-A | CGRP receptor antagonists | MERCK & CO INC (US) | 2007-11-07 | — | — | CN | disclosed |