Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.68 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.68 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8966242 | 1.00 | ESR1 (0.68) | ESR1ESR2HRH3PGRCHRM2 | |
| SCHEMBL8966126 | 0.99 | ESR1 (0.66) | ESR1ESR2HRH3PGRCHRM2 | |
| SCHEMBL7527242 | 0.94 | ESR1 (0.66) | ESR1ESR2HRH3PGRCHRM2 | |
| SCHEMBL7533378 | 0.93 | ESR1 (0.65) | ESR1ESR2HRH3PGRCHRM2 | |
| SCHEMBL8966218 | 0.92 | ESR1 (0.76) | ESR1ESR2HRH3 | |
| SCHEMBL7526114 | 0.91 | ESR1 (0.63) | ESR1ESR2HRH3KCNH2 | |
| SCHEMBL7530403 | 0.90 | ESR1 (0.61) | ESR1ESR2HRH3KCNH2LTA4H | |
| SCHEMBL8966174 | 0.90 | ESR1 (0.80) | ESR1ESR2HRH3PGRCHRM2 | |
| SCHEMBL8966130 | 0.89 | ESR1 (0.86) | ESR1ESR2 | |
| SCHEMBL7527931 | 0.88 | ESR1 (0.60) | ESR1ESR2HRH3KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0524742-B1 | Benzo(a)fluorene compounds | LILLY CO ELI (US) | 1996-02-28 | — | — | EP | disclosed |
| EP-0524742-A2 | Benzo(a)fluorene compounds | ELI LILLY AND COMPANY (US) | 1993-01-27 | — | — | EP | disclosed |
| US-5147880-A | Estrogenic and antiestrogenic activity | ELI LILLY AND COMPANY (US) | 1992-09-15 | — | — | US | disclosed |