Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL12868984 | 0.83 | GABRA1 (0.43) | GABRA1GABRB1GABRB2ADRB2ADRB1 | |
| SCHEMBL15631290 | 0.82 | ADRA1A (0.54) | GABRA1GABRB1GABRB2ADRB2ADRB1 | |
| SCHEMBL5002736 | 0.80 | GABRA1 (0.48) | GABRA1GABRB1GABRB2ADRA1ACA1 | |
| SCHEMBL5377474 | 0.80 | GABRA1 (0.45) | GABRA1GABRB1GABRB2ADRB2ADRB1 | |
| SCHEMBL20780493 | 0.80 | LMNA (0.47) | GABRA1GABRB1GABRB2ADRB2ADRB1 | |
| SCHEMBL24869449 | 0.80 | GABRA1 (0.38) | GABRA1GABRB1GABRB2ADRB2CA1 | |
| SCHEMBL13484 | 0.80 | GABRA1 (0.38) | GABRA1GABRB1GABRB2ADRB2RECQL | |
| SCHEMBL5385858 | 0.80 | GABRA1 (0.48) | GABRA1GABRB1GABRB2ADRA1ACYP3A4 | |
| SCHEMBL15706603 | 0.77 | LMNA (0.38) | GABRA1GABRB1EIF4A3LMNA | |
| SCHEMBL12172238 | 0.77 | LMNA (0.44) | GABRA1GABRB2ADRB2ADRB1ADRB3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114615981-B | KRAS G12D inhibitors | 米拉蒂治疗股份有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-114615981-A | KRAS G12D inhibitors | 米拉蒂治疗股份有限公司 | 2022-06-10 | — | — | CN | disclosed |
| WO-2007005572-A1 | PROCESS FOR SYNTHESIZING A CETP INHIBITOR | MERCK & CO., INC. (US) | 2007-01-11 | — | — | WO | disclosed |