Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 4/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3503733 | 0.83 | APP (0.36) | LTB4RLTB4R2CYP3A4CYP2C9APP | |
| SCHEMBL3568407 | 0.73 | LTB4R (0.33) | LTB4RLTB4R2CYP3A4CYP2C9APP | |
| SCHEMBL3505777 | 0.69 | SRC (0.35) | CYP3A4CYP2C9APPAKR1C3AKR1C2 | |
| SCHEMBL3575879 | 0.68 | APP (0.40) | APP | |
| SCHEMBL21043202 | 0.65 | F10 (0.33) | — | |
| SCHEMBL5040961 | 0.65 | HTR2C (0.47) | — | |
| SCHEMBL30409263 | 0.62 | KDM1A (0.53) | — | |
| SCHEMBL509469 | 0.62 | KDM1A (0.53) | — | |
| SCHEMBL510933 | 0.62 | ALDH1A1 (0.42) | — | |
| SCHEMBL5790025 | 0.62 | NPC1 (0.52) | — |
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-7834034-B2 | Benzothiophene derivatives | MERCK SHARP & DOHME CORP. (US) | 2010-11-16 | — | — | US | disclosed |