Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | ESRRG | P62508 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SHBG | P04278 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9888403 | 0.82 | SMN1; SMN2 (0.48) | LMNATSHRALDH1A1BCL2 | |
| SCHEMBL11301676 | 0.82 | ESR1 (0.55) | ESR1ESR2HIF1AEPAS1CYP3A4 | |
| SCHEMBL16684959 | 0.79 | ESR1 (0.40) | ESR1ESR2HIF1ACYP3A4LMNA | |
| SCHEMBL16685141 | 0.78 | HIF1A (0.40) | ESR1ESR2HIF1AEPAS1CYP3A4 | |
| SCHEMBL8674769 | 0.78 | ESR1 (0.53) | ESR1ESR2HIF1AEPAS1CYP3A4 | |
| SCHEMBL11564596 | 0.71 | HRH3 (0.44) | ESR1ESR2HIF1ACYP3A4LMNA | |
| SCHEMBL660462 | 0.71 | ESR1 (0.53) | ESR1ESR2HIF1ACYP3A4TYR | |
| SCHEMBL4372304 | 0.69 | ESR1 (0.47) | ESR1ESR2HIF1AEPAS1CYP3A4 | |
| SCHEMBL677567 | 0.68 | ESR1 (0.52) | ESR1ESR2HIF1ACYP3A4LMNA | |
| SCHEMBL8837045 | 0.68 | SIGMAR1 (0.50) | LMNATSHRALDH1A1BCL2 |
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-3063158-A1 | METALLOCENE DERIVATIVES WITH ANTICANCER ACTIVITY | Paris Sciences et Lettres - Quartier Latin (FR) | 2016-09-07 | — | — | EP | disclosed |
| WO-2015063201-A1 | METALLOCENE DERIVATIVES WITH ANTICANCER ACTIVITY | PARIS SCIENCES ET LETTRES - QUARTIER LATIN (FR) | 2015-05-07 | — | — | WO | disclosed |