Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 7/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.42 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27922982 | 0.84 | HCAR2 (0.41) | HCAR2AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL1484347 | 0.80 | EPHX1 (0.44) | HCAR2 | |
| SCHEMBL1808417 | 0.80 | HCAR2 (0.38) | HCAR2 | |
| SCHEMBL1808418 | 0.77 | HCAR2 (0.34) | HCAR2 | |
| SCHEMBL26698325 | 0.75 | HCAR2 (0.50) | PTGS2HCAR2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL29852325 | 0.75 | HCAR2 (0.50) | PTGS2HCAR2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL6259017 | 0.75 | AKR1C3 (0.57) | PTGS2HCAR2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL575045 | 0.75 | AKR1C3 (0.57) | PTGS2HCAR2PTGS1AKR1C3AKR1C2 | |
| SCHEMBL7446504 | 0.74 | LMNA (0.50) | HCAR2AKR1C3AKR1C2LMNATSHR | |
| SCHEMBL30768172 | 0.74 | PTGS2 (0.42) | PTGS2PTGS1AKR1C3AKR1C2CXCR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1085980-C | Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists | SEARLE & CO (US) | 2002-06-05 | — | — | CN | disclosed |
| CN-1201454-A | Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists | SEARLE & CO (US) | 1998-12-09 | — | — | CN | disclosed |