Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL7898763 | 1.00 | GAA (0.48) | GAAKMT2AAKR1C3PTGS2ALDH1A1 | |
| SCHEMBL8155346 | 0.92 | PTGS2 (0.53) | PTGS2 | |
| SCHEMBL8155347 | 0.92 | PTGS2 (0.53) | PTGS2 | |
| SCHEMBL3871512 | 0.90 | CYP19A1 (0.46) | GAAKMT2AAKR1C3PTGS2ALDH1A1 | |
| SCHEMBL7895875 | 0.90 | ESR2 (0.46) | AKR1C3PTGS2 | |
| SCHEMBL8492118 | 0.90 | ESR2 (0.46) | AKR1C3PTGS2 | |
| SCHEMBL3872442 | 0.90 | CYP19A1 (0.46) | GAAKMT2AAKR1C3PTGS2ALDH1A1 | |
| SCHEMBL7898784 | 0.90 | NHERF1 (0.47) | KMT2AAKR1C3PTGS2 | |
| SCHEMBL7898781 | 0.90 | NHERF1 (0.47) | KMT2AAKR1C3PTGS2 | |
| SCHEMBL7895872 | 0.90 | ESR2 (0.46) | AKR1C3PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6180651-B1 | ANTIINFLAMMATORY AGENTS; ANALGESICS | BRISTOL-MYERS SQUIBB | 2001-01-30 | — | — | US | disclosed |
| US-5807873-A | Diarylmethylidenefuran derivatives and their uses in therapeutics | LABORATORIES UPSA (FR) | 1998-09-15 | — | — | US | disclosed |