Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8660081 | 0.88 | PKM (0.50) | PKMESR1ALDH1A1NPSR1MAPT | |
| SCHEMBL8656891 | 0.84 | PKM (0.49) | PKMESR1ALDH1A1CA12CA9 | |
| SCHEMBL8660463 | 0.84 | PKM (0.49) | PKMESR1ALDH1A1MAPTCA12 | |
| SCHEMBL8663426 | 0.83 | PKM (0.45) | PKMESR1ALDH1A1NPSR1MAPT | |
| SCHEMBL8660142 | 0.83 | PKM (0.54) | PKMESR1ALDH1A1NPSR1MAPT | |
| SCHEMBL8663371 | 0.82 | PKM (0.53) | PKMESR1ALDH1A1CA12CA9 | |
| SCHEMBL8662811 | 0.82 | PKM (0.46) | PKMESR1ALDH1A1NPSR1KEAP1 | |
| SCHEMBL8662966 | 0.81 | PKM (0.49) | PKMESR1ALDH1A1MAPTCA12 | |
| SCHEMBL8658102 | 0.81 | PKM (0.49) | PKMESR1ALDH1A1CA12CA9 | |
| SCHEMBL8656925 | 0.81 | PKM (0.63) | PKMESR1ALDH1A1CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5739166-A | ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT | G.D. SEARLE & CO. (US) | 1998-04-14 | — | — | US | disclosed |