Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 10/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL15935556 | 0.85 | AVPR1A (0.40) | AVPR1A | |
| SCHEMBL15935552 | 0.79 | DGAT1 (0.30) | AVPR1A | |
| SCHEMBL13015186 | 0.79 | ADRA2A (0.33) | AVPR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL13015187 | 0.70 | CALCRL (0.38) | — | |
| SCHEMBL13015171 | 0.69 | GRIN2D (0.32) | — | |
| SCHEMBL13015184 | 0.68 | KCNH2 (0.39) | AVPR1A | |
| SCHEMBL13015185 | 0.65 | DGAT1 (0.30) | AVPR1A | |
| SCHEMBL15935551 | 0.65 | CALCRL (0.36) | — | |
| SCHEMBL26042425 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL15935915 | 0.63 | AVPR1A (0.38) | AVPR1AADRA2A |
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 |