Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HBB | P68871 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4709428 | 0.96 | GSTP1 (0.36) | GSTP1ALDH1A1ALOX15CASP1CASP7 | |
| SCHEMBL31657085 | 0.92 | ALDH1A1 (0.38) | GSTP1ALDH1A1CYP3A4ALOX15CASP1 | |
| SCHEMBL31656985 | 0.92 | ALDH1A1 (0.38) | GSTP1ALDH1A1CYP3A4ALOX15CASP1 | |
| SCHEMBL31657027 | 0.92 | ALDH1A1 (0.38) | GSTP1ALDH1A1CYP3A4ALOX15CASP1 | |
| SCHEMBL23840 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HIF1AHSD17B10TDP1 | |
| SCHEMBL5313840 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HIF1AHSD17B10TDP1 | |
| SCHEMBL10704294 | 0.80 | CES1 (0.35) | GSTP1ALDH1A1CASP1HIF1AHSD17B10 | |
| Ethylene Glycol SCHEMBL18525382 | 0.75 | ALDH1A1 (0.41) | ALDH1A1CYP3A4CASP1CASP7HIF1A | |
| SCHEMBL9844906 | 0.75 | CYP1A2 (0.41) | ALDH1A1CASP1HIF1AHSD17B10TDP1 | |
| SCHEMBL11515314 | 0.75 | ALDH1A1 (0.41) | ALDH1A1CASP7HIF1AHSD17B10TDP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023069727-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS | EDISON ONCOLOGY (US) | 2023-04-27 | — | — | WO | claimed |
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| WO-2023224488-A1 | DNA REPAIR SIGNATURE AND PREDICTION OF RESPONSE FOLLOWING CANCER THERAPY | AGENDIA N.V. (NL) | 2023-11-23 | — | — | WO | disclosed |
| CN-114894917-B | Method for detecting volatile components of rhizoma nardostachyos and constructing fingerprint | 山东步长制药股份有限公司 | 2023-10-20 | — | — | CN | disclosed |
| WO-2023069727-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS | EDISON ONCOLOGY (US) | 2023-04-27 | — | — | WO | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |
| EP-3548486-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| EP-3548486-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | Merck Patent GmbH (DE) | 2019-10-09 | — | — | EP | disclosed |
| US-20100009927-A1 | Anti-Inflammatory and Anti-Allergy Extracts from Nettle | HERBALSCIENCE GROUP LLC (US) | 2010-01-14 | — | — | US | disclosed |