Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | F7 | P08709 | 1/20 | 0.30 |
| ▸ | F3 | P13726 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KDM6B | O15054 | 1/20 | 0.30 |
| ▸ | KDM4A | O75164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | KDM4D | Q6B0I6 | 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 | |
|---|---|---|---|---|
| SCHEMBL25112226 | 0.79 | HCAR2 (0.34) | HCAR2LMNAKDRMAP2K4CYP1A2 | |
| SCHEMBL25112091 | 0.77 | KMT2A (0.44) | LMNAKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL25112233 | 0.71 | BTK (0.31) | BTK | |
| SCHEMBL15758062 | 0.68 | HCAR2 (0.46) | HCAR2LMNASMN1; SMN2KEAP1NFE2L2 | |
| SCHEMBL30728153 | 0.66 | TDO2 (0.36) | HCAR2KDM4EMEN1KDM6BKDM4A | |
| SCHEMBL25111865 | 0.64 | HCAR2 (0.32) | HCAR2KDM4EMEN1KDM6BKDM4A | |
| SCHEMBL10642551 | 0.63 | PARP1 (0.49) | SMN1; SMN2CYP1A2KDM4EMEN1ALDH1A1 | |
| SCHEMBL29952807 | 0.63 | CYP2A6 (0.38) | CYP1A2F7F3KDM4EMEN1 | |
| SCHEMBL392397 | 0.63 | TSHR (0.48) | HCAR2LMNASMN1; SMN2KEAP1NFE2L2 | |
| SCHEMBL28440693 | 0.63 | AKR1C2 (0.52) | HCAR2LMNASMN1; SMN2KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023036140-A1 | 3CLPRO PROTEASE INHIBITOR | 上海齐鲁制药研究中心有限公司 | 2023-03-16 | — | — | WO | disclosed |