Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM2 | Q9P1W9 | 7/20 | 0.46 |
| ▸ | PBK | Q96KB5 | 2/20 | 0.45 |
| ▸ | IDH2 | P48735 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 6/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.41 |
| ▸ | CDC42BPB | Q9Y5S2 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30571038 | 1.00 | PIM2 (0.46) | PIM2PBKIDH2PIM1ROCK2 | |
| SCHEMBL18991731 | 0.86 | KDM4E (0.49) | — | |
| SCHEMBL23760701 | 0.80 | AR (0.42) | — | |
| SCHEMBL21795312 | 0.80 | AR (0.42) | — | |
| SCHEMBL18980368 | 0.80 | TLR8 (0.40) | CYP2C19PIK3CAPRKCAPRKCQ | |
| SCHEMBL29722378 | 0.80 | TLR8 (0.40) | CYP2C19PIK3CAPRKCAPRKCQ | |
| SCHEMBL18980370 | 0.80 | TLR8 (0.40) | CYP2C19PIK3CAPRKCAPRKCQ | |
| SCHEMBL18980372 | 0.80 | TLR8 (0.40) | CYP2C19PIK3CAPRKCAPRKCQ | |
| SCHEMBL18980205 | 0.80 | PIM2 (0.42) | PIM2PIM1PIM3 | |
| SCHEMBL30571035 | 0.80 | PIM2 (0.42) | PIM2PIM1PIM3 |
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-113603675-A | Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders | 默克专利有限公司 | 2021-11-05 | — | — | CN | disclosed |