Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.77 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.77 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.77 |
| ▸ | VDR | P11473 | 10/20 | 0.74 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.72 |
| ▸ | PGR | P06401 | 2/20 | 0.72 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.72 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.72 |
| ▸ | HTR1A | P08908 | 1/20 | 0.72 |
| ▸ | MAPT | P10636 | 2/20 | 0.66 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.66 |
| ▸ | GC | P02774 | 1/20 | 0.66 |
| ▸ | RXRA | P19793 | 1/20 | 0.66 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.66 |
| ▸ | CNR1 | P21554 | 1/20 | 0.66 |
| ▸ | HTR2C | P28335 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.66 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL10973273 | 0.90 | VDR (0.80) | ADORA3SLC6A2AGTR1VDRNR1I2 | |
| SCHEMBL13809910 | 0.90 | VDR (0.80) | ADORA3SLC6A2AGTR1VDRNR1I2 | |
| SCHEMBL10049538 | 0.90 | VDR (0.80) | ADORA3SLC6A2AGTR1VDRNR1I2 | |
| SCHEMBL13809909 | 0.90 | VDR (0.80) | ADORA3SLC6A2AGTR1VDRNR1I2 | |
| SCHEMBL19988230 | 0.89 | VDR (0.78) | ADORA3SLC6A2AGTR1VDRNR1I2 | |
| SCHEMBL19988245 | 0.89 | VDR (0.80) | ADORA3SLC6A2AGTR1VDRNR1I2 | |
| SCHEMBL8879910 | 0.87 | VDR (0.78) | ADORA3SLC6A2AGTR1VDRNR1I2 | |
| SCHEMBL8880179 | 0.87 | VDR (0.78) | ADORA3SLC6A2AGTR1VDRNR1I2 | |
| Alfacalcidol SCHEMBL24066856 | 0.87 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRNR1I2 | |
| Alfacalcidol SCHEMBL14100119 | 0.87 | ADORA3 (1.00) | ADORA3SLC6A2AGTR1VDRNR1I2 |
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-1025082-A1 | NOVEL VITAMIN D DERIVATIVES WITH CYCLOPROPYL RINGS IN THE LATERAL CHAINS, A METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND THE UTILIZATION THEREOF FOR PRODUCING MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-08-09 | — | — | EP | claimed |
| WO-1999016745-A1 | NOVEL VITAMIN D DERIVATIVES WITH CYCLOPROPYL RINGS IN THE LATERAL CHAINS, A METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF AND THE UTILIZATION THEREOF FOR PRODUCING MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-04-08 | — | — | WO | claimed |