Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 11/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | ESRRG | P62508 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL10411316 | 0.79 | SHBG (0.53) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL13061691 | 0.76 | SHBG (0.53) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL18574477 | 0.76 | SHBG (0.53) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL28797573 | 0.75 | SHBG (0.48) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL52004 | 0.75 | ESR1 (0.50) | SHBGESR1ESR2CYP3A4LMNA | |
| Phosphonic Acid SCHEMBL10410221 | 0.75 | GABRA1 (0.43) | CYP3A4LMNAHPGDTSHRSLC6A2 | |
| SCHEMBL3480352 | 0.74 | SHBG (0.52) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL9472085 | 0.72 | ESR1 (0.58) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL25865911 | 0.72 | SHBG (0.53) | SHBGESR1ESR2CYP3A4LMNA | |
| SCHEMBL14838088 | 0.72 | ESR1 (0.46) | SHBGESR1ESR2CYP3A4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4904815-A | PHENOLS WITH ESTER, ACID OR AMIDE FUNCTIONAL GROUPS, STABILIZERS FOR AQUEOUS OR ORGANIC SYSTEMS | CIBA-GEIGY AG (CH) | 1990-02-27 | — | — | US | disclosed |