Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT2 | P31751 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | USP7 | Q93009 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22918661 | 1.00 | AKT2 (0.49) | AKT2HRH3ADRB2LMNADHFR | |
| SCHEMBL2237239 | 0.83 | DHFR (0.54) | AKT2HRH3ADRB2DHFR | |
| Hydrochloric Acid SCHEMBL1935888 | 0.81 | DHFR (0.53) | AKT2HRH3ADRB2DHFR | |
| SCHEMBL27998657 | 0.75 | TLR7 (0.44) | AKT2LMNATLR8 | |
| SCHEMBL22918936 | 0.74 | HRH3 (0.58) | AKT2HRH3ADRB2NOS3NOS1 | |
| SCHEMBL30046095 | 0.73 | BTK (0.51) | DHFR | |
| SCHEMBL27454250 | 0.72 | DGAT1 (0.58) | AKT2HRH3ADRB2CYP2A6LOXL2 | |
| SCHEMBL27714791 | 0.72 | GABBR2 (0.67) | AKT2 | |
| SCHEMBL1935597 | 0.70 | DHFR (0.51) | AKT2DHFR | |
| SCHEMBL19412637 | 0.69 | CLK1 (0.38) | — |
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-114174293-A | 4- (imidazo [1,2-a ] pyridin-3-yl) -pyrimidine derivatives | 默克专利股份公司 | 2022-03-11 | — | — | CN | disclosed |