Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | HPGD | P15428 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.62 |
| ▸ | WNT3A | P56704 | 2/20 | 0.62 |
| ▸ | CES2 | O00748 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 1/20 | 0.61 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL4722288 | 1.00 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL8269548 | 0.92 | HSD11B1 (0.64) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL28188567 | 0.90 | PDE4B (0.67) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL4884872 | 0.90 | PDE4B (0.62) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL3588375 | 0.85 | CTNNB1 (0.60) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL8098826 | 0.85 | PARP1 (0.65) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL30416977 | 0.85 | CTNNB1 (0.60) | ALDH1A1CYP1A2HPGDCYP2C19HSD17B10 | |
| SCHEMBL1421198 | 0.85 | CES2 (0.62) | CES2CES1HSD11B1PARP1HTT | |
| SCHEMBL4637827 | 0.85 | CES2 (0.62) | ALDH1A1HPGDCTNNB1WNT3ACES2 | |
| SCHEMBL19984838 | 0.85 | CES2 (0.62) | ALDH1A1CTNNB1WNT3ACES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117203194-A | Novel compounds useful as STING agonists and uses thereof | 北京加科思新药研发有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-111971277-B | Benzothiophenes and related compounds as STING agonists | 默沙东有限责任公司 | 2023-06-06 | — | — | CN | disclosed |