Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 9/20 | 0.47 |
| ▸ | AKT3 | Q9Y243 | 9/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | TEC | P42680 | 1/20 | 0.36 |
| ▸ | TXK | P42681 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | PRKACG | P22612 | 1/20 | 0.36 |
| ▸ | PRKACB | P22694 | 1/20 | 0.36 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13638565 | 0.93 | AKT3 (0.48) | HPGDSAKT3TECTXKBTK | |
| SCHEMBL13638504 | 0.93 | AKT3 (0.48) | HPGDSAKT3TECTXKBTK | |
| SCHEMBL13633569 | 0.89 | HPGDS (0.49) | HPGDSAKT3CNR1CNR2MET | |
| SCHEMBL13638474 | 0.86 | AKT3 (0.50) | AKT3TECTXKBTKITK | |
| SCHEMBL13638466 | 0.85 | AKT3 (0.62) | AKT3TECTXKBTKITK | |
| SCHEMBL16192862 | 0.84 | AKT3 (0.47) | HPGDSAKT3METKITPRKCA | |
| SCHEMBL16192776 | 0.84 | AKT3 (0.47) | HPGDSAKT3METKITPRKCA | |
| SCHEMBL16192777 | 0.84 | AKT3 (0.47) | HPGDSAKT3METKITPRKCA | |
| SCHEMBL13638571 | 0.83 | AKT3 (0.40) | AKT3TECTXKBTKITK | |
| SCHEMBL13638295 | 0.82 | AKT3 (0.38) | AKT3TECTXKBTKITK |
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-7615562-B2 | Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents | NOVARTIS AG (CH) | 2009-11-10 | — | — | US | disclosed |