Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | CDC25B | P30305 | 2/20 | 0.46 |
| ▸ | CDC25A | P30304 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 2/20 | 0.44 |
| ▸ | MYC | P01106 | 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 | |
|---|---|---|---|---|
| SCHEMBL30099839 | 0.86 | ALDH1A1 (0.64) | AKR1C3ALDH1A1ALOX15SMN1; SMN2POLB | |
| SCHEMBL13101653 | 0.86 | ALDH1A1 (0.64) | AKR1C3ALDH1A1ALOX15SMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL23294765 | 0.84 | ALDH1A1 (0.61) | AKR1C3ALDH1A1ALOX15SMN1; SMN2POLB | |
| SCHEMBL28603923 | 0.81 | NR4A1 (0.68) | AKR1C3ALDH1A1ALOX15CES2CES1 | |
| SCHEMBL28919090 | 0.81 | AKR1C3 (0.68) | AKR1C3ALDH1A1ALOX15CES2CES1 | |
| SCHEMBL29701296 | 0.81 | AKR1C3 (1.00) | AKR1C3ALDH1A1ALOX15SMN1; SMN2CES2 | |
| SCHEMBL503364 | 0.81 | AKR1C3 (1.00) | AKR1C3ALDH1A1ALOX15SMN1; SMN2CES2 | |
| SCHEMBL17928622 | 0.81 | USP2 (0.56) | ALDH1A1SMN1; SMN2CES2CES1NPC1 | |
| SCHEMBL28157914 | 0.81 | POLB (0.71) | AKR1C3ALDH1A1ALOX15SMN1; SMN2POLB | |
| Phthalic Acid SCHEMBL27580536 | 0.80 | ALDH1A1 (0.74) | AKR1C3ALDH1A1ALOX15SMN1; SMN2POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118359658-A | Synthesis method of germanium substituted gamma-lactone compound | 滁州学院 | 2024-07-19 | — | — | CN | disclosed |
| CN-118221621-A | Compound, preparation method and application thereof | 暨南大学 | 2024-06-21 | — | — | CN | disclosed |
| CN-113173899-B | Synthesis method of isobenzofuran-1 (3H) -ketone compound | 都创(上海)医药科技股份有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-113173899-A | Method for synthesizing isobenzofuran-1 (3H) -ketone compound | 都创(上海)医药科技股份有限公司 | 2021-07-27 | — | — | CN | disclosed |