Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K4 | P45985 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.30 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.30 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.30 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.30 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.30 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.30 |
| ▸ | PRKAB1 | Q9Y478 | 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 SCHEMBL27945215 | 0.85 | MAP2K4 (0.36) | MAP2K4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL27926206 | 0.75 | LMNA (0.38) | MAP2K4GABRA1GABRG2GABRB3GABRA5 | |
| Tert-Butyl Formate SCHEMBL27926232 | 0.75 | TLR9 (0.39) | — | |
| SCHEMBL27945216 | 0.72 | KDM4E (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| Tert-Butyl Formate SCHEMBL27811453 | 0.71 | MAP2K4 (0.51) | MAP2K4 | |
| SCHEMBL28079253 | 0.69 | MAP2K4 (0.41) | MAP2K4NTRK1PRKAB2PRKAG1PRKAA2 | |
| Tert-Butyl Formate SCHEMBL28290005 | 0.69 | CYP2A6 (0.43) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27926204 | 0.69 | KDM4E (0.44) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27945219 | 0.68 | MAP2K4 (0.36) | MAP2K4GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL9952561 | 0.66 | MAP2K4 (0.49) | 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 |