Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | PLD2 | O14939 | 1/20 | 0.34 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL30032839 | 0.87 | KCNH2 (0.32) | KCNH2 | |
| SCHEMBL30032838 | 0.84 | KCNH2 (0.31) | KCNH2 | |
| SCHEMBL13747954 | 0.82 | CCNC (0.33) | KCNH2SIGMAR1 | |
| SCHEMBL30033980 | 0.79 | — | — | |
| SCHEMBL1700113 | 0.78 | KCNH2 (0.55) | KCNH2SIGMAR1DRD2TP53CYP3A4 | |
| SCHEMBL15935920 | 0.76 | FGFR1 (0.38) | — | |
| SCHEMBL15935910 | 0.74 | AVPR1A (0.36) | SMN1; SMN2 | |
| SCHEMBL15935948 | 0.74 | CHRM2 (0.36) | KCNH2SIGMAR1CYP3A4ALOX15MAPK1 | |
| SCHEMBL15935918 | 0.73 | KCNH2 (0.39) | KCNH2SIGMAR1DRD2PLD2PLD1 | |
| SCHEMBL30032831 | 0.73 | PGR (0.37) | — |
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 |