Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.51 |
| ▸ | CES1 | P23141 | 2/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | FABP2 | P12104 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL1261293 | 0.86 | PTGS2 (0.46) | PTGS2CXCL8PTGS1AKR1C3AKR1C2 | |
| SCHEMBL8142507 | 0.86 | HIF1A (0.50) | CES2CES1PTGS2CXCL8PTGS1 | |
| SCHEMBL31415015 | 0.86 | HIF1A (0.50) | CES2CES1PTGS2CXCL8PTGS1 | |
| SCHEMBL824969 | 0.86 | HIF1A (0.50) | CES2CES1PTGS2CXCL8PTGS1 | |
| SCHEMBL8142511 | 0.86 | HIF1A (0.50) | CES2CES1PTGS2CXCL8PTGS1 | |
| SCHEMBL31117047 | 0.86 | HIF1A (0.50) | CES2CES1PTGS2CXCL8PTGS1 | |
| SCHEMBL4070595 | 0.85 | ADRA2B (0.47) | CES2CES1PTGS2CXCL8PTGS1 | |
| SCHEMBL195340 | 0.84 | CES2 (0.49) | CES2CES1PTGS2PTGS1AKR1C3 | |
| SCHEMBL287453 | 0.83 | AKR1C3 (0.44) | PTGS2CXCL8PTGS1AKR1C3AKR1C2 | |
| SCHEMBL10687309 | 0.83 | PTGS2 (0.44) | CES2CES1PTGS2CXCL8PTGS1 |
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-118955244-A | Method for preparing primary alcohol by homogeneously catalyzing and reducing carboxylic acid derivative by using N-heterocyclic carbene copper complex | 延安大学 | 2024-11-15 | — | — | CN | disclosed |
| EP-4126888-A1 | COMPOUNDS USEFUL IN HIV THERAPY | VIIV Healthcare Company (US) | 2023-02-08 | — | — | EP | disclosed |
| WO-2021194828-A1 | COMPOUNDS USEFUL IN HIV THERAPY | VIIV HEALTHCARE COMPANY (US) | 2021-09-30 | — | — | WO | disclosed |
| US-6972296-B2 | Carboxylic acid derivatives that inhibit the binding of integrins to their receptors | ENCYSIVE PHARMACEUTICALS INC. (US) | 2005-12-06 | — | — | US | disclosed |