Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | FABP2 | P12104 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL29947126 | 1.00 | APP (0.51) | APPATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL30192831 | 0.86 | AKR1C3 (0.59) | APPATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL5948033 | 0.86 | AKR1C3 (0.59) | APPATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL13172342 | 0.86 | ATM (0.50) | APPATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL29231640 | 0.86 | AKR1C3 (0.59) | APPATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL5948037 | 0.86 | AKR1C3 (0.59) | APPATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL28847439 | 0.83 | TDP1 (0.50) | APPTDP1EPHX1MEN1KMT2A | |
| SCHEMBL29947157 | 0.83 | TDP1 (0.50) | APPTDP1EPHX1MEN1KMT2A | |
| SCHEMBL4856872 | 0.82 | ATM (0.46) | APPATMTDP1AKR1C3AKR1C2 | |
| SCHEMBL30192959 | 0.82 | ATM (0.46) | APPATMTDP1AKR1C3AKR1C2 |
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-115087655-A | Benzimidazole derivatives | 辉瑞公司 | 2022-09-20 | — | — | CN | disclosed |