Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | USP7 | Q93009 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8533014 | 0.85 | ESR1 (0.33) | ESR1ESR2AKR1C3 | |
| SCHEMBL19859678 | 0.79 | ESR1 (0.42) | ESR1ESR2NOTUMPGRCYP11B2 | |
| SCHEMBL2906588 | 0.74 | CES2 (0.36) | — | |
| SCHEMBL29672634 | 0.74 | CES2 (0.36) | — | |
| SCHEMBL7519320 | 0.72 | HDAC1 (0.40) | HDAC1HDAC2AKR1C3AKR1C2PDE3B | |
| SCHEMBL18134234 | 0.72 | AKR1C3 (0.46) | HDAC1HDAC2AKR1C3AKR1C2PDE3B | |
| SCHEMBL19444063 | 0.72 | DYRK1A (0.41) | ESR1ESR2HDAC1HDAC2AKR1C3 | |
| SCHEMBL14634097 | 0.70 | MPL (0.35) | — | |
| SCHEMBL18444749 | 0.68 | ESR1 (0.31) | ESR1ESR2 | |
| SCHEMBL18134235 | 0.68 | PTGS2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5725797-A | Silacyclohexane compound, a process for producing the same, and a liquid crystal composition comprising the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-03-10 | — | — | US | disclosed |