Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6825799 | 0.90 | MAPT (0.51) | NPC1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL6823032 | 0.89 | CA1 (0.56) | NPC1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL6823595 | 0.84 | ESR1 (0.61) | KDM4EALDH1A1HPGDHSD17B10MAOB | |
| SCHEMBL6825824 | 0.84 | NPC1 (0.61) | NPC1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL5145814 | 0.82 | ESR1 (0.63) | NPC1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL6823816 | 0.81 | ALDH1A1 (0.55) | NPC1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL6823709 | 0.80 | ALDH1A1 (0.54) | NPC1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL6823769 | 0.75 | MAOB (0.53) | NPC1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL6819971 | 0.74 | ESR1 (0.63) | KDM4EALDH1A1HPGDHSD17B10CA1 | |
| SCHEMBL5428058 | 0.73 | CYP19A1 (0.81) | NPC1MAPTKDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004069820-A1 | COUMARIN DERIVATIVES HAVING AN AFFINITY FOR OESTROGEN RECEPTORS, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | B.F.B. ETUDES ET RECHERCHES EXPERIMENTALES (FR) | 2004-08-19 | — | — | WO | disclosed |