Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | FBP1 | P09467 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8733154 | 1.00 | ESR1 (0.45) | ESR1ESR2TSHRHSD17B10FBP1 | |
| SCHEMBL8732745 | 0.87 | ESR1 (0.57) | ESR1ESR2THRBRAB9AALDH1A1 | |
| SCHEMBL8732752 | 0.87 | ESR1 (0.57) | ESR1ESR2THRBRAB9AALDH1A1 | |
| SCHEMBL8729054 | 0.81 | ESR1 (0.50) | ESR1ESR2HSD17B10THRBALDH1A1 | |
| SCHEMBL8729056 | 0.81 | ESR1 (0.50) | ESR1ESR2HSD17B10THRBALDH1A1 | |
| SCHEMBL8732968 | 0.81 | ESR1 (0.50) | ESR1ESR2HSD17B10THRBALDH1A1 | |
| SCHEMBL8732972 | 0.81 | ESR1 (0.50) | ESR1ESR2HSD17B10THRBALDH1A1 | |
| SCHEMBL8734383 | 0.80 | PTGS2 (0.50) | ESR1ESR2THRBRAB9AALDH1A1 | |
| SCHEMBL8734382 | 0.80 | PTGS2 (0.50) | ESR1ESR2THRBRAB9AALDH1A1 | |
| SCHEMBL14207014 | 0.80 | ALDH1A1 (0.55) | ESR1ESR2FBP1CYP2A6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0834490-A1 | COMPOUNDS HAVING ALKYL-SUBSTITUTED ALKENYLENE MOIETY AND LIQUID CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 1998-04-08 | — | — | EP | disclosed |