Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL8659118 | 0.88 | PKM (0.53) | PKMESR1CA12CA9ALDH1A1 | |
| SCHEMBL8658024 | 0.86 | PKM (0.51) | PKMESR1CA12CA9ALDH1A1 | |
| SCHEMBL8659634 | 0.86 | PKM (0.51) | PKMESR1CA12CA9ALDH1A1 | |
| SCHEMBL8660081 | 0.85 | PKM (0.50) | PKMESR1CA12CA9ALDH1A1 | |
| SCHEMBL8659120 | 0.84 | PKM (0.49) | PKMESR1CA12CA9ALDH1A1 | |
| SCHEMBL8658317 | 0.83 | PKM (0.59) | PKMESR1CA12CA9ALDH1A1 | |
| SCHEMBL8660142 | 0.83 | PKM (0.54) | PKMESR1CA12CA9ALDH1A1 | |
| SCHEMBL8659111 | 0.82 | PKM (0.47) | PKMESR1CA12CA9ALDH1A1 | |
| SCHEMBL8659474 | 0.82 | PKM (0.50) | PKMESR1CA12CA9ALDH1A1 | |
| SCHEMBL8658102 | 0.81 | PKM (0.49) | PKMESR1CA12CA9ALDH1A1 |
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 |