Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493221 | 0.80 | SIGMAR1 (0.39) | CYP2C19 | |
| SCHEMBL9493219 | 0.80 | SIGMAR1 (0.39) | CYP2C19 | |
| SCHEMBL28027917 | 0.77 | CYP2C19 (0.36) | ALDH1A1TSHRHTTMAPTKMT2A | |
| SCHEMBL9292949 | 0.76 | CYP2C19 (0.35) | ALDH1A1TSHRHTTMAPTKMT2A | |
| SCHEMBL4915895 | 0.75 | ALDH1A1 (0.40) | ALDH1A1TSHRHTTMAPTKMT2A | |
| SCHEMBL7438049 | 0.75 | ALDH1A1 (0.41) | ALDH1A1TSHRHTTMAPTKMT2A | |
| SCHEMBL10193743 | 0.75 | CYP2C19 (0.38) | ALDH1A1TSHRHTTMAPTKMT2A | |
| SCHEMBL18091134 | 0.74 | MAPK1 (0.39) | ALDH1A1TSHRMAPTKMT2AMAPK1 | |
| SCHEMBL9167846 | 0.74 | TSHR (0.33) | ALDH1A1TSHRHTTMAPTKMT2A | |
| SCHEMBL5892154 | 0.73 | CYP2C19 (0.33) | ALDH1A1HTTMAPTKMT2AMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5952321-A | Substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO., INC. (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0666846-A4 | — | — | 1995-09-20 | — | — | EP | disclosed |
| EP-0666846-A1 | NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS | MERCK & CO. INC. (US) | 1995-08-16 | — | — | EP | disclosed |
| WO-1994010143-A1 | NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS | MERCK & CO., INC. (US) | 1994-05-11 | — | — | WO | disclosed |