Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.37 |
| ▸ | KDM5A | P29375 | 2/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4863083 | 0.86 | ALDH1A1 (0.52) | ALDH1A1SMYD3CNR1CNR2SMN1; SMN2 | |
| SCHEMBL13813279 | 0.86 | ALDH1A1 (0.44) | ALDH1A1SMYD3SMN1; SMN2MAPTL3MBTL1 | |
| SCHEMBL6173009 | 0.85 | SMYD3 (0.51) | ALDH1A1SMYD3MAPTL3MBTL1KDM5A | |
| Hydrochloric Acid SCHEMBL971588 | 0.84 | ALDH1A1 (0.50) | ALDH1A1SMYD3SMN1; SMN2HTTMAPT | |
| SCHEMBL16594468 | 0.84 | NR2F2 (0.43) | SMYD3SMN1; SMN2HTTNR2F2PAX8 | |
| SCHEMBL1167120 | 0.81 | RECQL (0.50) | ALDH1A1SMYD3SMN1; SMN2MAPTL3MBTL1 | |
| SCHEMBL3129887 | 0.81 | ALDH1A1 (0.41) | ALDH1A1SMYD3NR3C2LOXL2LMNA | |
| SCHEMBL13945543 | 0.81 | PLK1 (0.51) | SMYD3SMN1; SMN2HTTLOXL2PLK1 | |
| SCHEMBL12315306 | 0.81 | ALDH1A1 (0.43) | ALDH1A1SMYD3SMN1; SMN2MAPTL3MBTL1 | |
| SCHEMBL14353399 | 0.80 | FAAH (0.42) | ALDH1A1HTTMAPTL3MBTL1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1045833-B1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER (US) | 2005-11-02 | — | — | EP | disclosed |
| US-6608070-B1 | Useful for treatment of medical condition in which prostaglandins are implicated as pathogens | NAKAO KAZUNARI (JP) | 2003-08-19 | — | — | US | disclosed |
| EP-1045833-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER INC. (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999035130-A1 | 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS | PFIZER PHARMACEUTICALS INC. (JP) | 1999-07-15 | — | — | WO | disclosed |