Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.67 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10581272 | 1.00 | ESR1 (0.67) | ESR1ESR2PTGS1LMNACYP1A2 | |
| SCHEMBL10583351 | 0.82 | HSD17B3 (0.55) | ESR1ESR2PTGS1LMNACYP1A2 | |
| SCHEMBL12459964 | 0.82 | HSD17B3 (0.55) | ESR1ESR2PTGS1LMNACYP1A2 | |
| SCHEMBL10581682 | 0.82 | ESR1 (0.62) | ESR1ESR2PTGS1LMNACYP1A2 | |
| SCHEMBL19159318 | 0.81 | ESR1 (0.45) | ESR1ESR2PTGS1LMNAMAPT | |
| SCHEMBL9113341 | 0.80 | ESR1 (1.00) | ESR1ESR2PTGS1LMNACYP1A2 | |
| SCHEMBL574346 | 0.80 | ESR1 (1.00) | ESR1ESR2PTGS1LMNACYP1A2 | |
| SCHEMBL23145325 | 0.79 | HTT (0.44) | ESR1ESR2PTGS1LMNACYP1A2 | |
| SCHEMBL9702762 | 0.79 | ESR1 (0.50) | ESR1ESR2PTGS1LMNACYP1A2 | |
| SCHEMBL2082470 | 0.79 | ESR1 (0.44) | ESR1ESR2PTGS1LMNAMAPT |
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-1587906-A2 | VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-10-26 | — | — | EP | disclosed |
| WO-2004063345-A2 | VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-07-29 | — | — | WO | disclosed |