Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 5/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.50 |
| ▸ | CCKBR | P32239 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 2/20 | 0.46 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11879836 | 0.77 | GABRA1 (0.50) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL30535879 | 0.77 | GABRA1 (0.50) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11879844 | 0.73 | GABRA1 (0.50) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL6060113 | 0.73 | OPRK1 (0.72) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL7324237 | 0.72 | BRD4 (0.81) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11830576 | 0.72 | TDP1 (0.59) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11666219 | 0.71 | GABRA1 (0.48) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11878378 | 0.71 | GABRA1 (0.45) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL9565432 | 0.71 | GABRA5 (0.50) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL11662113 | 0.70 | GABRA1 (0.46) | GABRA1GABRA5GABRA2GABRB2GABRA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007016087-A2 | HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| EP-0523846-A2 | 1,4-Benzodiazepines with 5-membered heterocyclic rings | MERCK & CO. INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| EP-0272866-A1 | 1,4-Benzodiazepines with 5-membered heterocyclic rings | MERCK & CO. INC. (US) | 1988-06-29 | — | — | EP | disclosed |