Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 8/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | GC | P02774 | 1/20 | 0.54 |
| ▸ | PGR | P06401 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | RXRA | P19793 | 1/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL19916548 | 0.90 | VDR (0.45) | VDRMAPTSMN1; SMN2NR1I2ABCB11 | |
| SCHEMBL19502585 | 0.88 | VDR (0.59) | VDRMAPTSMN1; SMN2NR1I2ABCB11 | |
| SCHEMBL18476159 | 0.87 | VDR (0.59) | VDRMAPTSMN1; SMN2NR1I2ABCB11 | |
| SCHEMBL18484998 | 0.86 | ADORA3 (0.53) | VDRMAPTSMN1; SMN2NR1I2ABCB11 | |
| SCHEMBL18292869 | 0.85 | VDR (0.73) | VDRMAPTSMN1; SMN2NR1I2ABCB11 | |
| SCHEMBL14034543 | 0.85 | VDR (0.73) | VDRMAPTSMN1; SMN2NR1I2ABCB11 | |
| SCHEMBL19788795 | 0.85 | VDR (0.73) | VDRMAPTSMN1; SMN2NR1I2ABCB11 | |
| SCHEMBL20848288 | 0.85 | MAPT (0.56) | VDRMAPTSMN1; SMN2NR1I2ABCB11 | |
| SCHEMBL18484994 | 0.84 | VDR (0.74) | VDRMAPTSMN1; SMN2NR1I2ABCB11 | |
| SCHEMBL14884774 | 0.84 | VDR (0.74) | VDRMAPTSMN1; SMN2NR1I2ABCB11 |
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-2017023617-A1 | SYNTHESIS AND BIOLOGICAL ACTIVITY OF 2-METHYLENE ANALOGS OF CALCITRIOL AND RELATED COMPOUNDS | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2017-02-09 | — | — | WO | disclosed |