Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL8099392 | 0.91 | PTGS2 (0.50) | ALDH1A1LMNAPTGS2CNR1CNR2 | |
| SCHEMBL8094384 | 0.86 | MAPK13 (0.47) | ALDH1A1LMNAPTGS2CA12CA1 | |
| SCHEMBL8093710 | 0.83 | CNR1 (0.47) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8095485 | 0.82 | ALDH1A1 (0.44) | ALDH1A1LMNAPTGS2CA12CA1 | |
| SCHEMBL8095193 | 0.81 | CNR1 (0.46) | ALDH1A1LMNAPTGS2CA12CA1 | |
| SCHEMBL8086039 | 0.81 | TSHR (0.50) | ALDH1A1LMNAPTGS2CA12CA1 | |
| SCHEMBL8104361 | 0.80 | ALDH1A1 (0.46) | ALDH1A1LMNAPTGS2CA12CA1 | |
| SCHEMBL8095741 | 0.80 | PDE10A (0.43) | ALDH1A1LMNAPTGS2CA12CA1 | |
| SCHEMBL8093245 | 0.80 | ALDH1A1 (0.45) | ALDH1A1LMNAPTGS2CA12CA1 | |
| SCHEMBL8421510 | 0.79 | SLC22A12 (0.39) | ALDH1A1LMNAPTGS2MEN1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808304-B1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-12-27 | — | — | EP | disclosed |
| EP-0808304-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024584-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-15 | — | — | WO | disclosed |