Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL17350953 | 0.84 | SLC18A2 (0.44) | — | |
| SCHEMBL5958283 | 0.83 | NOS3 (0.42) | POLBNOS3NOS1NOS2GBA1 | |
| SCHEMBL7774188 | 0.80 | TRPA1 (0.49) | POLBNOS3NOS1NOS2TRPA1 | |
| SCHEMBL10925912 | 0.80 | NOS3 (0.41) | POLBNOS3NOS1NOS2TRPA1 | |
| SCHEMBL516000 | 0.79 | MAOA (0.46) | POLBNOS3NOS1NOS2TRPA1 | |
| SCHEMBL17536381 | 0.79 | TRPA1 (0.41) | POLBNOS3NOS1NOS2TRPA1 | |
| Ammonia Solution, Strong SCHEMBL27932656 | 0.78 | MAOA (0.45) | POLBNOS3NOS1NOS2TRPA1 | |
| SCHEMBL28922378 | 0.76 | TRPA1 (0.48) | POLBNOS3NOS1NOS2GBA1 | |
| SCHEMBL13563553 | 0.76 | TRPA1 (0.44) | POLBNOS3NOS1NOS2GBA1 | |
| SCHEMBL16765854 | 0.75 | TRPA1 (0.42) | POLBNOS3NOS1NOS2GBA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9216999-B2 | Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2015-12-22 | — | — | US | disclosed |