Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3621380 | 0.81 | ESR1 (0.68) | ESR1ESR2HDAC6HDAC3HDAC1 | |
| Trimethylammonium SCHEMBL11531919 | 0.80 | ESR1 (0.45) | ESR1ESR2HDAC6HDAC3HDAC1 | |
| SCHEMBL26040038 | 0.80 | ESR1 (0.66) | ESR1ESR2HDAC6HDAC3HDAC1 | |
| SCHEMBL26325133 | 0.80 | ESR1 (0.66) | ESR1ESR2HDAC6HDAC3HDAC1 | |
| SCHEMBL5685539 | 0.79 | ESR1 (0.61) | ESR1ESR2HDAC6HDAC3HDAC1 | |
| SCHEMBL28231906 | 0.79 | APP (0.57) | ESR1ESR2HDAC6HDAC3HDAC1 | |
| Trimethylammonium SCHEMBL11529092 | 0.79 | ESR1 (0.44) | ESR1ESR2HDAC6HDAC3HDAC1 | |
| SCHEMBL8338272 | 0.77 | APP (0.68) | ESR1ESR2HDAC2APPALDH1A1 | |
| SCHEMBL18003153 | 0.76 | CYP2A6 (0.40) | ESR1ESR2HDAC6HDAC3HDAC1 | |
| SCHEMBL19333541 | 0.75 | ESR1 (0.60) | ESR1ESR2HDAC6HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999032112-A1 | METHOD FOR TREATING DIABETES | ELI LILLY AND COMPANY (US) | 1999-07-01 | — | — | WO | disclosed |