Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 2/20 | 0.51 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.51 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.51 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | CCNC | P24863 | 1/20 | 0.51 |
| ▸ | CDK8 | P49336 | 1/20 | 0.51 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | S1PR5 | Q9H228 | 6/20 | 0.47 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.47 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14873474 | 0.88 | CCNC (0.52) | CCNCCDK8GSTP1HDAC4HDAC2 | |
| SCHEMBL5048312 | 0.85 | SLC6A2 (0.51) | CCNCCDK8GSTP1HDAC4HDAC2 | |
| SCHEMBL5381541 | 0.81 | S1PR5 (0.48) | CCNCCDK8GSTP1HDAC4HDAC2 | |
| SCHEMBL5961842 | 0.80 | PTGS1 (0.59) | PTGER1PTGER4PTGER3PTGER2PTGS2 | |
| SCHEMBL538512 | 0.80 | KMT2A (0.60) | PTGER1PTGER4PTGER3PTGER2PTGS2 | |
| SCHEMBL477558 | 0.79 | GSTP1 (0.52) | CCNCCDK8GSTP1HDAC4HDAC2 | |
| SCHEMBL11018452 | 0.79 | TRPA1 (0.58) | CCNCCDK8GSTP1HDAC4HDAC2 | |
| SCHEMBL9890645 | 0.79 | PTGS2 (0.53) | PTGER1PTGER4PTGER3PTGER2PTGS2 | |
| SCHEMBL29459923 | 0.79 | PTGS2 (0.53) | PTGER1PTGER4PTGER3PTGER2PTGS2 | |
| Hydrochloric Acid SCHEMBL11895689 | 0.78 | KMT2A (0.58) | PTGER1PTGER4PTGER3PTGER2PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115108905-A | Method for generating (Z) -trifluoromethane enol ester by copper-catalyzed regioselective olefination and trifluoromethylation of carboxylic acid | 湖南大学 | 2022-09-27 | — | — | CN | disclosed |