Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5505572 | 0.95 | STAT3 (0.41) | STAT3HTR1AADRB2CYP1A2ALOX5 | |
| SCHEMBL8422662 | 0.83 | CYP1A2 (0.53) | STAT3CYP1A2HTR2ASIGMAR1 | |
| SCHEMBL107785 | 0.81 | ESR1 (0.52) | HTR1AADRB2ESR1ESR2CYP1A2 | |
| SCHEMBL6685567 | 0.79 | CNR1 (0.52) | ESR1ESR2CYP1A2ALOX5TYR | |
| SCHEMBL12221232 | 0.78 | ESR1 (0.52) | ESR1ESR2CYP1A2ALOX5HSD17B10 | |
| SCHEMBL7976757 | 0.78 | DRD2 (0.52) | DRD2DRD1DRD4OPRM1DRD3 | |
| SCHEMBL9125921 | 0.78 | TYR (0.54) | ADRB2ESR1ESR2CYP1A2ALOX5 | |
| SCHEMBL5950465 | 0.76 | MMP12 (0.44) | STAT3HTR1AADRB2CA1CA2 | |
| SCHEMBL5500172 | 0.76 | CYP4A11 (0.43) | STAT3ADRB2CA12CA1CA2 | |
| SCHEMBL2221672 | 0.75 | CYP1A2 (0.59) | ESR1ESR2CYP1A2ALOX5HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1836151-A2 | VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006069153-A2 | VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2006-06-29 | — | — | WO | disclosed |