Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 3/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2313192 | 0.78 | GRIN1 (0.55) | GRIN1GRIN2AGRIN2BKMT2AMEN1 | |
| SCHEMBL11216766 | 0.73 | GRIN1 (0.50) | GRIN1GRIN2AGRIN2BKMT2AMEN1 | |
| SCHEMBL11056103 | 0.73 | ITGA4 (0.42) | ITGA4 | |
| SCHEMBL13962905 | 0.71 | GRIN1 (0.49) | GRIN1GRIN2AGRIN2BBACE1KMT2A | |
| SCHEMBL28498656 | 0.70 | GRIN1 (0.45) | GRIN1GRIN2AITGA4GRIN2BS100A4 | |
| SCHEMBL11959114 | 0.69 | BACE1 (0.51) | BACE1GSK3BKMT2AAKR1B1MEN1 | |
| SCHEMBL9673557 | 0.68 | AKR1B1 (0.45) | ITGA4AKR1B1 | |
| SCHEMBL22018462 | 0.68 | BACE1 (0.54) | GRIN1GRIN2AGRIN2BBACE1KMT2A | |
| SCHEMBL10789485 | 0.68 | KMT2A (0.38) | ITGA4KMT2AAKR1B1 | |
| SCHEMBL2307237 | 0.68 | GRIN1 (0.39) | GRIN1GRIN2AGRIN2BPARP1POLB |
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-4486592-A | ANTIARRHYTHMIA AGENTS | ELI LILLY AND COMPANY (US) | 1984-12-04 | — | — | US | disclosed |