Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL686508 | 0.85 | CES2 (0.40) | CES2CES1EGFRCA12CA1 | |
| SCHEMBL16319966 | 0.78 | CES2 (0.55) | CES2CES1EGFRCA12CA1 | |
| SCHEMBL28289313 | 0.76 | MAPT (0.38) | CES2CES1EGFRCRHBPCRHR2 | |
| SCHEMBL22982350 | 0.75 | GABRG2 (0.43) | CES2CES1GABRA1GABRG2GABRB3 | |
| SCHEMBL31709749 | 0.73 | CES2 (0.46) | CES2CES1EGFRCA12CA1 | |
| SCHEMBL17374982 | 0.73 | EGFR (0.47) | CES2CES1EGFRCA12CA1 | |
| SCHEMBL27297571 | 0.73 | EGFR (0.35) | EGFRCRHBPCRHR2GABRA1GABRG2 | |
| SCHEMBL28266357 | 0.73 | EGFR (0.47) | CES2CES1EGFRCA12CA1 | |
| SCHEMBL8678161 | 0.73 | LMNA (0.44) | EGFRCA12CA1CA2CA9 | |
| SCHEMBL7596485 | 0.72 | SOS1 (0.36) | CES2CES1EGFRGABRA1GABRG2 |
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-112469725-A | Penicillin binding protein inhibitors | 维纳拓尔斯制药公司 | 2021-03-09 | — | — | CN | disclosed |