Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.30 |
| ▸ | SPHK1 | Q9NYA1 | 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 | |
|---|---|---|---|---|
| Butane SCHEMBL135347 | 0.87 | — | — | |
| Butane SCHEMBL996346 | 0.83 | TSHR (0.39) | TSHRATMATRCA12CA1 | |
| Butane SCHEMBL29145656 | 0.83 | TSHR (0.39) | TSHRATMATRCA12CA1 | |
| Butane SCHEMBL2701218 | 0.83 | TSHR (0.39) | TSHRATMATRCA12CA1 | |
| Alcohol SCHEMBL28564689 | 0.83 | — | — | |
| Butane SCHEMBL8986628 | 0.80 | TSHR (0.36) | TSHRATMATRCA12CA1 | |
| Butane SCHEMBL7952882 | 0.80 | TSHR (0.36) | TSHRATMATRCA12CA1 | |
| Butane SCHEMBL7849041 | 0.80 | — | — | |
| Butane SCHEMBL214955 | 0.80 | — | — | |
| Butane SCHEMBL10694152 | 0.80 | TSHR (0.36) | TSHRATMATRCA12CA1 |
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-6159585-A | Security paper | GEORGIA-PACIFIC CORPORATION (US) | 2000-12-12 | — | — | US | disclosed |