Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.52 |
| ▸ | KIF11 | P52732 | 2/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5618062 | 1.00 | ALDH1A1 (0.54) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL27456577 | 0.98 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL10484075 | 0.98 | HPRT1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL11622042 | 0.90 | AKR1B1 (0.49) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL10484322 | 0.90 | HPRT1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL30811866 | 0.90 | HPRT1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL5617799 | 0.89 | ALDH1A1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL9127399 | 0.89 | CYP2A6 (0.48) | ALDH1A1HSD17B10KIF11CYP2A6TSHR | |
| SCHEMBL10348677 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL9798242 | 0.87 | CYP2A6 (0.44) | ALDH1A1HSD17B10CYP1B1HIF1AKIF11 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025021193-A1 | STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 珂阑(上海)医药科技有限公司 | 2025-01-30 | — | — | WO | disclosed |
| WO-2025020191-A1 | STEROID COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | 珂阑(上海)医药科技有限公司 | 2025-01-30 | — | — | WO | disclosed |
| CN-118063384-B | Aromatic ring substituted pyrazole derivative and application thereof | 四川农业大学 | 2025-01-10 | — | — | CN | disclosed |
| CN-118063384-A | Aromatic ring substituted pyrazole derivative and application thereof | 四川农业大学 | 2024-05-24 | — | — | CN | disclosed |
| CN-113214253-B | Pyridoimidazole derivative and preparation method and application thereof | 广东工业大学 | 2022-07-12 | — | — | CN | disclosed |