Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 18/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 17/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27987959 | 0.84 | SLC6A2 (0.38) | TDP1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL296408 | 0.82 | GABRA1 (0.39) | SLC6A4SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL3746410 | 0.80 | GABRA1 (0.38) | SLC6A4SLC6A2SLC6A3 | |
| Tert-Butyl Formate SCHEMBL27926086 | 0.79 | TDP1 (0.39) | TDP1SLC6A4SLC6A2SLC6A3 | |
| Tert-Butyl Formate SCHEMBL28023309 | 0.78 | SLC6A2 (0.46) | TDP1SLC6A4SLC6A2SLC6A3 | |
| Tert-Butyl Formate SCHEMBL28279734 | 0.78 | TDP1 (0.45) | TDP1SLC6A4SLC6A2SLC6A3 | |
| Tert-Butyl Formate SCHEMBL27562943 | 0.75 | TDP1 (0.50) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27751950 | 0.75 | TDP1 (0.50) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27649780 | 0.75 | TDP1 (0.42) | TDP1 | |
| Hydrochloric Acid SCHEMBL22797917 | 0.75 | SLC6A4 (0.43) | SLC6A4SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102459251-B | Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene a4 hydrolase | JANSSEN PHARMACEUTICA NV | 2015-05-20 | — | — | CN | disclosed |