Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7984628 | 0.74 | IDO1 (0.40) | CYP24A1ALDH1A1CA1CA2L3MBTL1 | |
| SCHEMBL6620603 | 0.74 | HTT (0.36) | TSHRCYP24A1ALDH1A1CA1CA2 | |
| SCHEMBL5136358 | 0.72 | CYP2C19 (0.38) | TSHRCYP24A1ALDH1A1 | |
| SCHEMBL18002093 | 0.71 | SLC6A4 (0.39) | TSHRCYP24A1 | |
| SCHEMBL3369248 | 0.70 | GABRA1 (0.46) | TSHRALDH1A1TRPA1CA1CA2 | |
| SCHEMBL8126233 | 0.70 | LMNA (0.41) | CYP24A1ALDH1A1 | |
| SCHEMBL5073394 | 0.69 | CYP24A1 (0.33) | CYP24A1ALDH1A1 | |
| SCHEMBL13692275 | 0.69 | GABRA1 (0.44) | ALDH1A1TRPA1L3MBTL1 | |
| SCHEMBL3459705 | 0.69 | GABRA1 (0.44) | ALDH1A1TRPA1L3MBTL1 | |
| SCHEMBL5988255 | 0.68 | GABRA1 (0.46) | ALDH1A1TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011004298-A1 | MONTELUKAST HEXAMETHYLENEDIAMINE SALT AND ITS USE FOR THE PREPARATION OF MONTELUKAST SODIUM | ALEMBIC LIMITED (IN) | 2011-01-13 | — | — | WO | disclosed |