Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.41 |
| ▸ | FABP2 | P12104 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11543436 | 0.85 | CYP2C19 (0.46) | CYP2C19CYP2C9APPCYP3A4AKR1C3 | |
| SCHEMBL11542595 | 0.84 | CYP2C19 (0.41) | CYP2C19CYP2C9APPCYP3A4GRM2 | |
| SCHEMBL11545076 | 0.83 | AKR1C3 (0.45) | CYP2C19CYP2C9APPCYP3A4AKR1C3 | |
| SCHEMBL11544423 | 0.83 | CYP2C19 (0.43) | CYP2C19CYP2C9APPCYP3A4GRM2 | |
| SCHEMBL11622662 | 0.81 | APP (0.44) | CYP2C19CYP2C9APPCYP3A4GRM2 | |
| SCHEMBL11543758 | 0.81 | AKR1C3 (0.41) | CYP2C19CYP2C9APPCYP3A4GRM2 | |
| SCHEMBL12418419 | 0.81 | APP (0.46) | CYP2C19CYP2C9APPCYP3A4AKR1C3 | |
| SCHEMBL11542959 | 0.81 | APP (0.46) | CYP2C19CYP2C9APPCYP3A4AKR1C3 | |
| SCHEMBL11545400 | 0.80 | CYP2C19 (0.40) | CYP2C19CYP2C9APPCYP3A4GRM2 | |
| SCHEMBL11542929 | 0.79 | FFAR1 (0.51) | CYP2C19CYP2C9APPCYP3A4AKR1C3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4151302-A | Araliphatic dihalogen compounds composition and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-04-24 | — | — | US | disclosed |
| US-4057647-A | Araliphatic dihalogen compounds and process for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-11-08 | — | — | US | disclosed |