Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K4 | P45985 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
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 SCHEMBL27926207 | 0.85 | MAP2K4 (0.38) | MAP2K4GABRA1GABRG2GABRB3GABRA5 | |
| Tert-Butyl Formate SCHEMBL27945219 | 0.84 | MAP2K4 (0.36) | MAP2K4GABRA1GABRG2GABRB3GABRA5 | |
| Tert-Butyl Formate SCHEMBL27926197 | 0.80 | CYP1A2 (0.36) | MAP2K4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL27945213 | 0.77 | RAB9A (0.36) | MAP2K4GABRA1GABRG2GABRB3GABRA5 | |
| Tert-Butyl Formate SCHEMBL28019561 | 0.74 | CNR1 (0.42) | — | |
| Tert-Butyl Formate SCHEMBL27810080 | 0.73 | GABRA1 (0.44) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| Tert-Butyl Formate SCHEMBL27811453 | 0.69 | MAP2K4 (0.51) | MAP2K4 | |
| SCHEMBL9952386 | 0.67 | MAP2K4 (0.37) | MAP2K4GABRA1GABRG2GABRB3GABRA5 | |
| Tert-Butyl Formate SCHEMBL28290005 | 0.66 | CYP2A6 (0.43) | — | |
| SCHEMBL28079253 | 0.66 | MAP2K4 (0.41) | MAP2K4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103429585-B | Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors | MERCK SERONO SA | 2015-07-08 | — | — | CN | disclosed |
| CN-103429585-A | Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors | MERCK SERONO SA | 2013-12-04 | — | — | CN | disclosed |