Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | 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 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15325737 | 0.81 | TAS1R3 (0.51) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL6023261 | 0.81 | ALDH1A1 (0.47) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL8097565 | 0.80 | ALDH1A1 (0.46) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL19038256 | 0.80 | ALDH1A1 (0.46) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL30316736 | 0.80 | ALDH1A1 (0.46) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL24635574 | 0.80 | ALDH1A1 (0.41) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL17467884 | 0.79 | POLB (0.46) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL12674140 | 0.79 | KDM4E (0.46) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL9501212 | 0.78 | ALDH1A1 (0.47) | ALDH1A1POLBMAPTGAATAS1R3 | |
| Sulfuric Acid SCHEMBL9326018 | 0.75 | ALDH1A1 (0.43) | ALDH1A1POLBMAPTGAATAS1R3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3974423-A1 | INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Shanghai Hansoh Biomedical Co., Ltd. (CN) | 2022-03-30 | — | — | EP | disclosed |
| US-9585884-B2 | Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 | AUSPEX PHARMACEUTICALS, INC. (US) | 2017-03-07 | — | — | US | disclosed |