Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PLD2 | O14939 | 1/20 | 0.32 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.32 |
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 | 0.81 | KCNH2 (0.55) | SIGMAR1DRD2KCNH2TP53CYP3A4 | |
| SCHEMBL15935922 | 0.76 | CYP1A2 (0.37) | CYP3A4 | |
| SCHEMBL15935940 | 0.74 | KCNH2 (0.38) | SIGMAR1KCNH2 | |
| SCHEMBL15935918 | 0.73 | KCNH2 (0.39) | SIGMAR1DRD2KCNH2PLD2PLD1 | |
| SCHEMBL15935917 | 0.73 | KCNH2 (0.37) | SIGMAR1DRD2KCNH2TP53CYP3A4 | |
| SCHEMBL1700111 | 0.71 | TP53 (0.56) | SIGMAR1DRD2TP53CYP3A4MAPT | |
| SCHEMBL13368622 | 0.68 | KCNH2 (0.63) | SIGMAR1KCNH2TP53CYP3A4MAPT | |
| SCHEMBL9963321 | 0.68 | KCNH2 (0.52) | KCNH2PLD2PLD1 | |
| SCHEMBL13342755 | 0.68 | KCNH2 (0.52) | KCNH2TP53CYP3A4MAPTALOX15 | |
| SCHEMBL13068677 | 0.68 | KCNH2 (0.53) | KCNH2TP53CYP3A4MAPTALOX15 |
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 |