Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | LPL | P06858 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL536540 | 0.71 | MAPT (0.46) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2125063 | 0.68 | CYP2A6 (0.72) | CYP2A6CYP2B6CYP2E1KCNH2CYP17A1 | |
| SCHEMBL2764416 | 0.67 | TDP1 (0.38) | CYP2A6 | |
| SCHEMBL9466448 | 0.67 | — | — | |
| SCHEMBL9464949 | 0.67 | GPR55 (0.31) | — | |
| SCHEMBL10735293 | 0.64 | CYP2A6 (0.42) | CYP2A6CYP2B6CYP2E1KCNH2CYP17A1 | |
| SCHEMBL19256853 | 0.63 | HTR1D (0.35) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL13977897 | 0.62 | CYP2A6 (0.50) | CYP2A6CYP2B6CYP2E1KCNH2CYP17A1 | |
| SCHEMBL19148272 | 0.62 | CYP2A6 (0.50) | CYP2A6CYP2B6CYP2E1KCNH2CYP17A1 | |
| SCHEMBL9465377 | 0.62 | LPL (0.33) | CYP3A4CYP2C19ERN1LPLLIPG |
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 |
|---|---|---|---|---|---|---|---|
| US-5246914-A | Fungicides and plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-21 | — | — | US | disclosed |