Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | PLD2 | O14939 | 1/20 | 0.35 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.35 |
| ▸ | AVPR1A | P37288 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1700113 | 0.79 | KCNH2 (0.55) | KCNH2SIGMAR1DRD2AVPR1A | |
| SCHEMBL15935916 | 0.75 | FGFR1 (0.38) | — | |
| SCHEMBL23508657 | 0.74 | SIGMAR1 (0.35) | SIGMAR1DRD2AVPR1A | |
| SCHEMBL15935917 | 0.73 | KCNH2 (0.37) | KCNH2SIGMAR1DRD2PLD2PLD1 | |
| SCHEMBL15935919 | 0.73 | SIGMAR1 (0.39) | KCNH2SIGMAR1DRD2PLD2PLD1 | |
| SCHEMBL15935915 | 0.72 | AVPR1A (0.38) | KCNH2AVPR1A | |
| SCHEMBL15935945 | 0.72 | KCNH2 (0.38) | KCNH2SIGMAR1DRD2 | |
| SCHEMBL12175572 | 0.71 | AVPR1A (0.45) | SIGMAR1DRD2AVPR1A | |
| SCHEMBL16274418 | 0.67 | SIGMAR1 (0.47) | SIGMAR1DRD2 | |
| SCHEMBL1700111 | 0.66 | TP53 (0.56) | SIGMAR1DRD2PLD2PLD1AVPR1A |
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 |