Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | TPMT | P51580 | 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 | |
|---|---|---|---|---|
| SCHEMBL14527939 | 0.79 | RAPGEF4 (0.39) | — | |
| SCHEMBL15270426 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| SCHEMBL5568994 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| SCHEMBL599485 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| SCHEMBL12329329 | 0.74 | ACHE (0.50) | ALDH1A1ACHE | |
| SCHEMBL15491235 | 0.72 | HCAR2 (0.38) | — | |
| SCHEMBL3282518 | 0.72 | ALDH1A1 (0.35) | ALDH1A1TSHRPTGS2 | |
| SCHEMBL4950926 | 0.71 | ALDH1A1 (0.44) | ALDH1A1TSHRACHETPMT | |
| SCHEMBL1720353 | 0.71 | ALDH1A1 (0.38) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| Hydrogen Peroxide SCHEMBL11210753 | 0.71 | FABP3 (0.44) | ALDH1A1TSHRNOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3180329-B1 | TRIAZOLES AS NR2B RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICALS INC (US) | 2020-03-18 | — | — | EP | disclosed |