Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.64 |
| ▸ | AKR1C2 | P52895 | 7/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CDC42 | P60953 | 1/20 | 0.64 |
| ▸ | RAC1 | P63000 | 1/20 | 0.64 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.64 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL60543 | 0.85 | AKR1C3 (0.58) | AKR1C3AKR1C2PTGS1PTGS2TSHR | |
| SCHEMBL38651836 | 0.85 | AKR1C3 (0.58) | AKR1C3AKR1C2PTGS1PTGS2TSHR | |
| SCHEMBL11154899 | 0.85 | ABCB11 (0.69) | AKR1C3AKR1C2PTGS1PTGS2TSHR | |
| SCHEMBL2882710 | 0.85 | MTNR1A (0.70) | AKR1C3AKR1C2PTGS1PTGS2TSHR | |
| SCHEMBL2882707 | 0.85 | MTNR1A (0.70) | AKR1C3AKR1C2PTGS1PTGS2TSHR | |
| SCHEMBL628797 | 0.84 | LMNA (0.56) | CYP1A2LMNACYP2C9TDP1L3MBTL1 | |
| SCHEMBL16426374 | 0.84 | AKR1C3 (0.56) | AKR1C3AKR1C2PTGS1PTGS2TSHR | |
| SCHEMBL15782118 | 0.82 | AKR1C3 (0.62) | AKR1C3AKR1C2PTGS1PTGS2TSHR | |
| SCHEMBL9696473 | 0.81 | AKR1C3 (0.60) | AKR1C3AKR1C2PTGS1PTGS2TSHR | |
| SCHEMBL3967988 | 0.81 | ABCB11 (0.67) | AKR1C3AKR1C2PTGS1PTGS2TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1223157-A1 | Use of 4-substituted 2-butanones to prepare nabumetone | HOECHST CELANESE CORPORATION (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-1223156-A1 | Use of 4-substituted 2-butanones to prepare nabumetone | HOECHST CELANESE CORPORATION (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-0892775-A2 | USE OF 4-SUBSTITUTED 2-BUTANONES TO PREPARE NABUMETONE | HOECHST CELANESE CORPORATION (US) | 1999-01-27 | — | — | EP | disclosed |
| US-5600009-A | Use of 4-substituted 2-butanones to prepare nabumetone | HOECHST CELANESE CORPORATION (US) | 1997-02-04 | — | — | US | disclosed |
| WO-1996040608-A2 | USE OF 4-SUBSTITUTED 2-BUTANONES TO PREPARE NABUMETONE | HOECHST CELANESE CORPORATION (US) | 1996-12-19 | — | — | WO | disclosed |