Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 9/20 | 0.49 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.45 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.45 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.45 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.45 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TGM2 | P21980 | 2/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7048389 | 0.84 | TSHR (0.42) | TSHRCES1DNMT1GRIN2DGRIN3B | |
| SCHEMBL7052184 | 0.84 | TSHR (0.42) | TSHRCES1DNMT1GRIN2DGRIN3B | |
| SCHEMBL7052182 | 0.84 | TSHR (0.42) | TSHRCES1DNMT1GRIN2DGRIN3B | |
| SCHEMBL7048387 | 0.84 | TSHR (0.42) | TSHRCES1DNMT1GRIN2DGRIN3B | |
| SCHEMBL3754645 | 0.79 | CES1 (0.59) | TSHRCES1DNMT1NSD2BCHE | |
| SCHEMBL7049393 | 0.78 | TSHR (0.36) | TSHRCES1DNMT1GRIN2DGRIN3B | |
| SCHEMBL7054965 | 0.78 | TSHR (0.36) | TSHRCES1DNMT1GRIN2DGRIN3B | |
| SCHEMBL8006090 | 0.75 | CES1 (0.59) | CES1DNMT1NSD2BCHEDAO | |
| SCHEMBL3741100 | 0.74 | TSHR (0.52) | TSHRCES1DNMT1GRIN2DGRIN3B | |
| SCHEMBL8874096 | 0.73 | TSHR (0.50) | TSHRCES1DNMT1GRIN2DGRIN3B |
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-5597922-A | Glycine receptor antagonist pharmacophore | STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) | 1997-01-28 | — | — | US | disclosed |
| WO-1996004288-A1 | GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE | STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) | 1996-02-15 | — | — | WO | disclosed |