Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 9/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14490603 | 0.79 | ESR1 (0.50) | SHBGESR1ESR2LMNACYP3A4 | |
| SCHEMBL19425726 | 0.79 | ESR1 (0.47) | SHBGESR1ESR2LMNACYP3A4 | |
| SCHEMBL3480352 | 0.78 | SHBG (0.52) | SHBGESR1ESR2LMNACYP3A4 | |
| SCHEMBL13061691 | 0.75 | SHBG (0.53) | SHBGESR1ESR2LMNACYP3A4 | |
| SCHEMBL18574477 | 0.72 | SHBG (0.53) | SHBGESR1ESR2LMNACYP3A4 | |
| SCHEMBL903671 | 0.70 | ESR1 (0.54) | SHBGESR1ESR2LMNACYP3A4 | |
| Terfluranol SCHEMBL2109222 | 0.69 | ESR1 (0.48) | ESR1ESR2LMNACYP3A4AR | |
| SCHEMBL2143217 | 0.69 | ESR1 (0.47) | SHBGESR1ESR2LMNACYP3A4 | |
| SCHEMBL8983932 | 0.69 | SHBG (0.42) | SHBGESR1ESR2LMNACYP3A4 | |
| SCHEMBL11460970 | 0.68 | NPC1 (0.39) | LMNAADORA3MAPTCHRM1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0457102-A2 | Bisphenols with a tertiary alkyle ester function, their process of preparation and their use | BAYER AG (DE) | 1991-11-21 | — | — | EP | disclosed |