Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.49 |
| ▸ | RELA | Q04206 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6832572 | 0.92 | ESR1 (0.58) | ESR1ESR2HDAC6MAPTNFKB1 | |
| SCHEMBL5681616 | 0.89 | ESR1 (0.50) | ESR1ESR2HDAC6MAPTNFKB1 | |
| SCHEMBL1665299 | 0.88 | NPC1 (0.56) | ESR1ESR2HDAC6MAPTNFKB1 | |
| SCHEMBL31310542 | 0.88 | NPC1 (0.56) | ESR1ESR2HDAC6MAPTNFKB1 | |
| SCHEMBL7107701 | 0.87 | HSD17B1 (0.56) | ESR1ESR2HDAC6MAPTNFKB1 | |
| SCHEMBL20928430 | 0.87 | ESR1 (0.46) | ESR1ESR2MAPTNFKB1RAB9A | |
| SCHEMBL12885297 | 0.84 | ALDH1A1 (0.45) | ESR1ESR2HDAC6MAPTNFKB1 | |
| SCHEMBL7446789 | 0.83 | NPC1 (0.46) | ESR1ESR2HDAC6MAPTNFKB1 | |
| SCHEMBL205800 | 0.83 | HDAC6 (0.48) | ESR1ESR2HDAC6MAPTNFKB1 | |
| SCHEMBL3053766 | 0.83 | APP (0.58) | ESR1ESR2HDAC6MAPTNFKB1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0827959-B1 | Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods | LILLY CO ELI (US) | 2003-12-03 | — | — | EP | disclosed |
| US-5977382-A | Benzo[b]thiophene compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY (US) | 1999-11-02 | — | — | US | disclosed |
| US-5977098-A | Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY (US) | 1999-11-02 | — | — | US | disclosed |
| US-5952513-A | TREATING POSTMENOPAUSAL SYNDROME SUCH AS OSTEOPOROSIS | ELI LILLY AND COMPANY (US) | 1999-09-14 | — | — | US | disclosed |
| US-5843965-A | Benzo B! thiophene compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY (US) | 1998-12-01 | — | — | US | disclosed |
| EP-0827959-A2 | Benzo[B]thiophene compounds, intermediates, processes, compositions, and methods | ELI LILLY AND COMPANY (US) | 1998-03-11 | — | — | EP | disclosed |