Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.49 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8081453 | 0.84 | PTGS2 (0.58) | PTGS2PTGS1CXCR1CXCR2ESR1 | |
| SCHEMBL8080097 | 0.82 | ALDH1A1 (0.43) | LMNA | |
| SCHEMBL8081389 | 0.81 | BRD4 (0.45) | LMNACYP2C9AKR1C3AKR1C2 | |
| SCHEMBL8076620 | 0.80 | KDM4E (0.49) | LMNA | |
| SCHEMBL8074900 | 0.80 | PTGS2 (0.49) | PTGS2PTGS1CXCR1CXCR2ESR1 | |
| SCHEMBL12608939 | 0.80 | ESR1 (0.59) | PTGS2PTGS1CXCR1CXCR2ESR1 | |
| Butibufen SCHEMBL7346774 | 0.77 | PTGS1 (0.73) | PTGS2PTGS1CXCR1CXCR2ESR1 | |
| Butibufen SCHEMBL24177 | 0.77 | PTGS1 (0.73) | PTGS2PTGS1CXCR1CXCR2ESR1 | |
| SCHEMBL8076959 | 0.76 | ELANE (0.46) | LMNA | |
| Butibufen SCHEMBL1605646 | 0.75 | PTGS1 (0.71) | PTGS2PTGS1CXCR1CXCR2ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1031629-A2 | Method of preparation of stereoisomeric carboxylic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-30 | — | — | EP | disclosed |