Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 9/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.35 |
| ▸ | LSS | P48449 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ATP1A1 | P05023 | 2/20 | 0.32 |
| ▸ | ATP1B1 | P05026 | 2/20 | 0.32 |
| ▸ | ATP1A3 | P13637 | 2/20 | 0.32 |
| ▸ | ATP1B2 | P14415 | 2/20 | 0.32 |
| ▸ | ATP1A2 | P50993 | 2/20 | 0.32 |
| ▸ | ATP1B3 | P54709 | 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 | |
|---|---|---|---|---|
| SCHEMBL17112798 | 0.82 | ESR2 (0.42) | ESR2CYP3A4CYP2D6CYP2C9ESR1 | |
| SCHEMBL15449220 | 0.77 | ESR2 (0.57) | ESR2CYP3A4CYP2C9ESR1SPHK1 | |
| SCHEMBL4163040 | 0.76 | HAO1 (0.42) | ALDH1A1 | |
| SCHEMBL16152681 | 0.75 | ESR2 (0.48) | ESR2APPCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3148250 | 0.75 | ESR2 (0.75) | ESR2CYP3A4CYP2D6CYP2C9ESR1 | |
| SCHEMBL25039518 | 0.75 | ESR2 (0.48) | ESR2APPCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12425318 | 0.74 | ESR2 (0.38) | ESR2APPCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL25219102 | 0.74 | DDB1 (0.40) | ESR2APPCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6025883 | 0.73 | HRH3 (0.41) | ESR2CYP3A4CYP2C9ESR1SPHK1 | |
| SCHEMBL25445325 | 0.72 | NPC1 (0.51) | ESR2APPCYP3A4CYP2D6CYP2C9 |
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-5561143-A | ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1996-10-01 | — | — | US | disclosed |