Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.56 |
| ▸ | BCR | P11274 | 2/20 | 0.56 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.46 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | F10 | P00742 | 4/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8657999 | 0.88 | PTGES2 (0.56) | PTGES2PTGS2PTGS1F10CA1 | |
| SCHEMBL8659255 | 0.87 | ABL1 (0.45) | ABL1ABCB1BCRPTGES2P2RX3 | |
| SCHEMBL8662983 | 0.86 | SCN9A (0.53) | ABL1ABCB1BCRPTGES2MAPT | |
| SCHEMBL8661454 | 0.83 | ABL1 (0.41) | ABL1ABCB1BCRPTGES2P2RX3 | |
| SCHEMBL8658511 | 0.82 | PTGS2 (0.40) | PTGES2PTGS2PTGS1F10CYP2C9 | |
| SCHEMBL8656781 | 0.82 | CA9 (0.54) | MAPTKMT2APTGS2PTGS1CA1 | |
| SCHEMBL8661248 | 0.82 | PTGS2 (0.46) | PTGES2USP2MAPTPKMKMT2A | |
| SCHEMBL6725549 | 0.81 | ABL1 (0.65) | ABL1ABCB1BCRPTGS2PTGS1 | |
| SCHEMBL4662753 | 0.81 | PTGES2 (0.59) | PTGES2P2RX3F10CA1CA2 | |
| SCHEMBL8663003 | 0.81 | PTGS2 (0.51) | PTGES2USP2MAPTPKMKMT2A |
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 |