Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL8902334 | 0.91 | ESR1 (0.38) | ESR1ESR2 | |
| SCHEMBL2093039 | 0.86 | CALM1 (0.48) | KDM4ECYP3A4 | |
| SCHEMBL8771470 | 0.82 | CYP3A4 (0.52) | ESR1ESR2KDM4ECYP3A4CYP2C19 | |
| SCHEMBL320687 | 0.76 | CALM1 (0.44) | ESR1ESR2CYP3A4 | |
| SCHEMBL455762 | 0.76 | — | — | |
| SCHEMBL23070995 | 0.75 | ESR1 (0.47) | ESR1ESR2KDM4ECYP3A4CYP2C19 | |
| SCHEMBL9838600 | 0.74 | — | — | |
| SCHEMBL28283318 | 0.74 | — | — | |
| SCHEMBL28137856 | 0.74 | IDH1 (0.36) | ESR1ESR2CYP3A4 | |
| SCHEMBL1663658 | 0.74 | — | — |
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-20050244652-A1 | Radiation curable polyurethanes with capped amino groups | BASF AKTIENGESELLSCHAFT (DE) | 2005-11-03 | — | — | US | disclosed |