Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ACE | P12821 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL17234205 | 0.80 | ALDH1A1 (0.38) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL18528340 | 0.80 | ALDH1A1 (0.38) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL18528341 | 0.80 | ALDH1A1 (0.38) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL18528364 | 0.75 | ALDH1A1 (0.35) | ALDH1A1ACETSHR | |
| SCHEMBL17234409 | 0.75 | ALDH1A1 (0.35) | ALDH1A1ACETSHR | |
| SCHEMBL23586831 | 0.72 | ALDH1A1 (0.33) | ALDH1A1ACE | |
| SCHEMBL18528433 | 0.71 | ALDH1A1 (0.33) | ALDH1A1ACE | |
| SCHEMBL17234403 | 0.71 | ALDH1A1 (0.33) | ALDH1A1ACE | |
| SCHEMBL18528431 | 0.71 | ALDH1A1 (0.33) | ALDH1A1ACE | |
| SCHEMBL448277 | 0.70 | ACE (0.39) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994016712-A9 | CREATINE PHOSPHATE, CREATINE PHOSPHATE ANALOGS, AND USES THEREFOR | — | 1994-09-15 | — | — | WO | claimed |
| WO-1994016712-A1 | CREATINE PHOSPHATE, CREATINE PHOSPHATE ANALOGS, AND USES THEREFOR | AMIRA, INC. (US) | 1994-08-04 | — | — | WO | claimed |