Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.32 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | BCR | P11274 | 1/20 | 0.30 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6197489 | 0.84 | ESR1 (0.47) | ESR1AHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL8751920 | 0.83 | NQO1 (0.46) | ESR1AHRNQO1PTPN1RELA | |
| SCHEMBL1796680 | 0.82 | CHRNA7 (0.54) | ESR1AHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7639908 | 0.82 | KDM4E (0.44) | ESR1AHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL22454156 | 0.81 | CHRNB2 (0.39) | ESR1AHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL6156345 | 0.81 | ALDH1A1 (0.39) | ESR1AHRNQO1PTPN1 | |
| SCHEMBL283041 | 0.78 | CHRNA7 (0.43) | ESR1AHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL27786572 | 0.77 | ESR1 (0.59) | ESR1AHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL16954499 | 0.77 | ESR1 (0.59) | ESR1AHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL16101859 | 0.75 | NQO1 (0.39) | ESR1AHRNQO1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1124779-B1 | VITAMIN D ANALOGUES | GALDERMA RES & DEV (FR) | 2005-02-02 | — | — | EP | disclosed |
| US-6689922-B1 | BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION | GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) | 2004-02-10 | — | — | US | disclosed |
| EP-1124779-A1 | VITAMIN D ANALOGUES | Galderma Research & Development, S.N.C. (FR) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026167-A1 | VITAMIN D ANALOGUES | GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) | 2000-05-11 | — | — | WO | disclosed |