Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15935915 | 0.85 | AVPR1A (0.38) | KCNH2PARP1AVPR1A | |
| SCHEMBL15935927 | 0.85 | KCNH2 (0.43) | KCNH2PARP1AVPR1A | |
| SCHEMBL13062457 | 0.80 | CALCRL (0.40) | — | |
| SCHEMBL13062460 | 0.79 | PARP1 (0.32) | PARP1 | |
| SCHEMBL13747461 | 0.71 | KCNH2 (0.43) | KCNH2AVPR1A | |
| SCHEMBL15935918 | 0.69 | KCNH2 (0.39) | KCNH2AVPR1A | |
| SCHEMBL24220811 | 0.68 | CALCRL (0.54) | — | |
| SCHEMBL13062458 | 0.68 | CALCRL (0.54) | — | |
| SCHEMBL13015184 | 0.66 | KCNH2 (0.39) | KCNH2AVPR1A | |
| SCHEMBL15583087 | 0.66 | KCNH2 (0.39) | KCNH2AVPR1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796260-B2 | Imidazobenzazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-08-05 | — | — | US | disclosed |