Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 14/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | F2 | P00734 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13062460 | 0.85 | PARP1 (0.32) | — | |
| SCHEMBL13015185 | 0.85 | DGAT1 (0.30) | AVPR1A | |
| SCHEMBL13747461 | 0.81 | KCNH2 (0.43) | AVPR1AALDH1A1GAASMN1; SMN2 | |
| SCHEMBL15935915 | 0.79 | AVPR1A (0.38) | AVPR1AADRA2AKDM4EALDH1A1F2 | |
| SCHEMBL15935911 | 0.79 | CALCRL (0.39) | ADRA2AALDH1A1GAASMN1; SMN2 | |
| SCHEMBL30032839 | 0.77 | KCNH2 (0.32) | — | |
| SCHEMBL30033980 | 0.74 | — | — | |
| SCHEMBL30032838 | 0.74 | KCNH2 (0.31) | — | |
| SCHEMBL15935917 | 0.74 | KCNH2 (0.37) | SMN1; SMN2 | |
| SCHEMBL13747954 | 0.72 | CCNC (0.33) | — |
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 |