Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | NPBWR1 | P48145 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.42 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.42 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.42 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.42 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.42 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.42 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8688508 | 0.87 | PTGS1 (0.49) | HTTKDM4EGAAALDH1A1NPSR1 | |
| SCHEMBL8689251 | 0.86 | ALDH1A1 (0.42) | HTTKDM4EGAAALDH1A1NPSR1 | |
| SCHEMBL8639252 | 0.86 | LMNA (0.48) | HTTKDM4EGAAALDH1A1NPSR1 | |
| SCHEMBL8693823 | 0.86 | PTGS2 (0.41) | HTTKDM4EGAAALDH1A1KEAP1 | |
| SCHEMBL8689434 | 0.86 | ALDH1A1 (0.49) | HTTKDM4EGAAALDH1A1NPSR1 | |
| SCHEMBL8691901 | 0.85 | PTGS2 (0.46) | HTTKDM4EGAAALDH1A1LMNA | |
| SCHEMBL8693263 | 0.84 | NPSR1 (0.46) | KDM4EGAAALDH1A1NPSR1LMNA | |
| SCHEMBL8691135 | 0.83 | HTT (0.47) | HTTKDM4EGAAALDH1A1NPSR1 | |
| SCHEMBL8688904 | 0.82 | ACLY (0.40) | KDM4EGAAKMT2AMAPTMEN1 | |
| Benzenesulfonamide SCHEMBL8157094 | 0.81 | PTGS2 (0.60) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5760068-A | NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G.D. SEARLE & CO. (US) | 1998-06-02 | — | — | US | claimed |
| US-5760068-A | NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G.D. SEARLE & CO. (US) | 1998-06-02 | — | — | US | disclosed |
| US-5756529-A | ANTIINFLAMMATORY | G.D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |