Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8662966 | 0.89 | PKM (0.49) | PKMCYP3A4CYP2C9CYP2C19ESR1 | |
| SCHEMBL8659474 | 0.84 | PKM (0.50) | PKMESR1NR1H3ALDH1A1KMT2A | |
| SCHEMBL8656891 | 0.83 | PKM (0.49) | PKMESR1NR1H3ALDH1A1KMT2A | |
| SCHEMBL8658027 | 0.82 | PKM (0.51) | PKMCYP3A4CYP2C9CYP2C19ESR1 | |
| SCHEMBL8659634 | 0.82 | PKM (0.51) | PKMCYP3A4CYP2C9CYP2C19ESR1 | |
| SCHEMBL8660081 | 0.81 | PKM (0.50) | PKMESR1NR1H3ALDH1A1KMT2A | |
| SCHEMBL8662811 | 0.81 | PKM (0.46) | PKMESR1ALDH1A1PGRMCOLN3 | |
| SCHEMBL8658102 | 0.80 | PKM (0.49) | PKMESR1NR1H3ALDH1A1KMT2A | |
| SCHEMBL8656925 | 0.80 | PKM (0.63) | PKMESR1HSD11B1ALDH1A1KMT2A | |
| SCHEMBL8663426 | 0.80 | PKM (0.45) | PKMESR1NR1H3HSD11B1ALDH1A1 |
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-5739166-A | ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT | G.D. SEARLE & CO. (US) | 1998-04-14 | — | — | US | claimed |
| US-5739166-A | ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT | G.D. SEARLE & CO. (US) | 1998-04-14 | — | — | US | disclosed |