Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8616249 | 1.00 | ESR1 (0.34) | ESR1ESR2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL9406356 | 0.93 | ESR1 (0.31) | ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL9406344 | 0.93 | ESR1 (0.31) | ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL9406353 | 0.93 | ESR1 (0.31) | ESR1ESR2CYP3A4CYP2C9 | |
| SCHEMBL17252249 | 0.86 | JAK2 (0.31) | — | |
| SCHEMBL17253449 | 0.86 | JAK2 (0.31) | — | |
| SCHEMBL10107071 | 0.86 | JAK2 (0.31) | — | |
| SCHEMBL131878 | 0.86 | — | — | |
| SCHEMBL25068750 | 0.85 | EPHX2 (0.35) | — | |
| SCHEMBL15577005 | 0.85 | EPHX2 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10829792-B2 | Biocatalytic synthesis of strained carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-11-10 | — | — | US | disclosed |
| US-20180305721-A1 | Biocatalytic Synthesis of Strained Carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-10-25 | — | — | US | disclosed |
| WO-2018175628-A1 | BIOCATALYTIC SYNTHESIS OF STRAINED CARBOCYCLES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-09-27 | — | — | WO | disclosed |