Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8824112 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL69629 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL29405063 | 1.00 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL9635910 | 0.97 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Naphthalene SCHEMBL8135433 | 0.97 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Benzene SCHEMBL28694599 | 0.97 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL1248531 | 0.97 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL4492456 | 0.90 | ALDH1A1 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL16668580 | 0.90 | CYP1A2 (0.46) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL28601827 | 0.88 | ALDH1A1 (0.42) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025223985-A1 | COMPOUND, ORGANIC SEMICONDUCTING MATERIAL, ORGANIC ELECTRONIC DEVICE, AND DISPLAY DEVICE | NOVALED GMBH (DE) | 2025-10-30 | — | — | WO | disclosed |
| CN-115698292-A | Aptamers binding to thiamine analogs and derivatives | 梅里特斯英国第二有限公司 | 2023-02-03 | — | — | CN | disclosed |
| EP-4065583-A1 | A COMPOUND HAVING INHIBITORY ACTIVITY AGAINST KRAS G12D MUTATION | Taiho Pharmaceutical Co., Ltd. (JP) | 2022-10-05 | — | — | EP | disclosed |