Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AVPR1A | P37288 | 11/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CALCA | P06881 | 2/20 | 0.33 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15583087 | 0.85 | KCNH2 (0.39) | KCNH2AVPR1ACALCACALCRL | |
| SCHEMBL2395246 | 0.85 | KCNH2 (0.39) | KCNH2ALDH1A1GAAMAPTSMN1; SMN2 | |
| SCHEMBL15935915 | 0.85 | AVPR1A (0.38) | KCNH2NPC1ALDH1A1CYP1A2GAA | |
| SCHEMBL15935927 | 0.84 | KCNH2 (0.43) | KCNH2AVPR1ACALCARAMP1CALCRL | |
| SCHEMBL13015184 | 0.84 | KCNH2 (0.39) | KCNH2AVPR1ARAMP1CALCRL | |
| SCHEMBL16591469 | 0.83 | KCNH2 (0.43) | KCNH2NPC1MAPTRAB9AAVPR1A | |
| SCHEMBL15583218 | 0.82 | KCNH2 (0.41) | KCNH2NPC1ALDH1A1GAAAVPR1A | |
| SCHEMBL15935910 | 0.81 | AVPR1A (0.36) | ALDH1A1GAASMN1; SMN2AVPR1A | |
| SCHEMBL15583219 | 0.81 | KCNH2 (0.43) | KCNH2ALDH1A1AVPR1ARAMP1CALCRL | |
| SCHEMBL24220794 | 0.78 | CALCA (0.50) | NPC1ALDH1A1CYP1A2GAAMAPT |
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 2 patents. 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 |
| WO-2009105348-A1 | IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-08-27 | — | — | WO | disclosed |