Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 9/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.33 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13015186 | 0.85 | ADRA2A (0.33) | AVPR1AADRA2AKCNH2 | |
| SCHEMBL13747461 | 0.85 | KCNH2 (0.43) | AVPR1AALDH1A1GAASMN1; SMN2NPC1 | |
| SCHEMBL15935910 | 0.79 | AVPR1A (0.36) | AVPR1AALDH1A1GAASMN1; SMN2ADRA2A | |
| SCHEMBL15935914 | 0.78 | ALDH1A1 (0.42) | ALDH1A1GAASMN1; SMN2NPC1CYP1A2 | |
| SCHEMBL15935918 | 0.72 | KCNH2 (0.39) | AVPR1AKCNH2 | |
| SCHEMBL15935927 | 0.69 | KCNH2 (0.43) | AVPR1APARP1KCNH2 | |
| SCHEMBL13015184 | 0.69 | KCNH2 (0.39) | AVPR1AKCNH2 | |
| SCHEMBL2395246 | 0.69 | KCNH2 (0.39) | AVPR1AALDH1A1GAASMN1; SMN2MAPT | |
| SCHEMBL15583087 | 0.69 | KCNH2 (0.39) | AVPR1AKCNH2 | |
| SCHEMBL16591469 | 0.69 | KCNH2 (0.43) | AVPR1ANPC1MAPTRAB9AKCNH2 |
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 |