Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.79 |
| ▸ | LMNA | P02545 | 2/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.79 |
| ▸ | PGR | P06401 | 2/20 | 0.79 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.79 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.79 |
| ▸ | AR | P10275 | 2/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.79 |
| ▸ | MAPT | P10636 | 2/20 | 0.79 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.79 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.79 |
| ▸ | DRD1 | P21728 | 2/20 | 0.79 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.79 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.79 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.79 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.79 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.79 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.79 |
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 | |
|---|---|---|---|---|
| Hexestrol SCHEMBL154885 | 0.89 | ESR1 (1.00) | ESR1LMNACYP1A2PGRCHRM2 | |
| Hexestrol SCHEMBL154886 | 0.89 | ESR1 (1.00) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL18926564 | 0.81 | ESR1 (0.83) | ESR1LMNACYP1A2PGRCHRM2 | |
| Hexestrol SCHEMBL17628536 | 0.81 | ESR1 (0.83) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL8518129 | 0.80 | ESR1 (0.73) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL10946354 | 0.80 | SHBG (0.78) | ESR1LMNACYP1A2PGRCHRM2 | |
| Hexestrol SCHEMBL27352072 | 0.79 | ESR1 (0.79) | ESR1LMNACYP1A2PGRCHRM2 | |
| Hexestrol SCHEMBL27496510 | 0.79 | ESR1 (0.79) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL17084078 | 0.78 | ESR1 (0.46) | ESR1LMNACYP1A2PGRCHRM2 | |
| SCHEMBL1323678 | 0.78 | ESR1 (0.78) | ESR1LMNACYP1A2PGRCHRM2 |
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-2016071552-A2 | HISTIDINE KINASE INHIBITORS WITH ANTIBACTERIAL ACTIVITY | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) | 2016-05-12 | — | — | WO | disclosed |