Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL27190814 | 0.84 | AKR1B1 (0.32) | AKR1B1 | |
| Hydrochloric Acid SCHEMBL25388268 | 0.81 | TAAR1 (0.39) | SMN1; SMN2 | |
| SCHEMBL29985351 | 0.76 | GPBAR1 (0.39) | RAB9AP2RX7USP2GPBAR1 | |
| SCHEMBL5415312 | 0.76 | GABRA1 (0.46) | GABRA1GABRB2AKR1B1P2RX7CACNA1C | |
| SCHEMBL25389241 | 0.76 | RAB9A (0.34) | RAB9AUSP2 | |
| SCHEMBL29985884 | 0.76 | RAB9A (0.34) | RAB9AUSP2 | |
| SCHEMBL25019428 | 0.74 | GABRA1 (0.45) | GABRA1GABRB2AKR1B1P2RX7CACNA1C | |
| SCHEMBL30910250 | 0.73 | ALDH1A1 (0.32) | ALDH1A1P2RX7 | |
| SCHEMBL14039398 | 0.72 | GABRA1 (0.46) | GABRA1GABRB2ALDH1A1AKR1B1P2RX7 | |
| Hydrochloric Acid SCHEMBL29986029 | 0.72 | IDO1 (0.36) | ALDH1A1P2RX7LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-4346815-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Schrödinger, Inc. (US) | 2024-04-10 | — | — | EP | disclosed |