Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL14536064 | 0.81 | NPC1 (0.41) | THRB | |
| SCHEMBL28259847 | 0.70 | KIF11 (0.39) | — | |
| SCHEMBL6272216 | 0.70 | SIGMAR1 (0.41) | CHRNA4 | |
| SCHEMBL105023 | 0.70 | SIGMAR1 (0.41) | CHRNA4 | |
| SCHEMBL28131603 | 0.70 | CHKA (0.46) | — | |
| SCHEMBL11923149 | 0.69 | ALDH1A1 (0.48) | ESR1THRB | |
| SCHEMBL28261625 | 0.69 | LMNA (0.45) | HRH1 | |
| SCHEMBL6685103 | 0.68 | ESR1 (0.74) | ESR1THRATHRBSLC6A2HTR2A | |
| SCHEMBL13007692 | 0.68 | ALDH1A1 (0.52) | ESR1THRB | |
| SCHEMBL7729842 | 0.67 | MAPT (0.34) | — |
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-2004043367-A2 | FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |