Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | CXCL8 | P10145 | 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 | |
|---|---|---|---|---|
| SCHEMBL10974668 | 0.81 | SLC6A4 (0.50) | TSHRMEN1KMT2ATP53ALDH1A1 | |
| SCHEMBL4011260 | 0.79 | TRPA1 (0.41) | LMNA | |
| SCHEMBL10974742 | 0.79 | MME (0.40) | TSHRHTR2AMEN1KMT2ATP53 | |
| SCHEMBL1951994 | 0.79 | LDHA (0.53) | TSHRPOLBMAPTTP53ALDH1A1 | |
| SCHEMBL31412811 | 0.78 | TSHR (0.66) | FAAHPTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL225582 | 0.78 | TSHR (0.66) | FAAHPTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL15317143 | 0.78 | EPHX1 (0.50) | PTGS1LMNAMEN1KMT2AEPHX1 | |
| SCHEMBL3045013 | 0.78 | EPHX1 (0.50) | PTGS1LMNAMEN1KMT2AEPHX1 | |
| SCHEMBL6440977 | 0.77 | LMNA (0.37) | LMNATSHRMEN1POLBMAPT | |
| SCHEMBL1131597 | 0.76 | PTGS1 (0.56) | FAAHPTGS1PTGS2LMNACYP2C9 |
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-117342938-A | Preparation method of ibuprofen | 常州大学 | 2024-01-05 | — | — | CN | disclosed |