Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.32 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6233426 | 0.82 | SHBG (0.36) | SHBGESR1ESR2GABRA1GABRB2 | |
| SCHEMBL757657 | 0.80 | CA1 (0.52) | ESR1ESR2CA1CA2ALOX5 | |
| Hydrochloric Acid SCHEMBL3646825 | 0.78 | CA1 (0.50) | ESR1ESR2CA1CA2ALOX5 | |
| SCHEMBL30576381 | 0.74 | ALDH1A1 (0.48) | SHBGESR1ESR2GABRA1GABRB2 | |
| SCHEMBL30250589 | 0.74 | CA1 (0.59) | SHBGESR1ESR2GABRA1GABRB2 | |
| SCHEMBL1021767 | 0.74 | ALDH1A1 (0.48) | SHBGESR1ESR2GABRA1GABRB2 | |
| SCHEMBL9749694 | 0.74 | CA1 (0.59) | SHBGESR1ESR2GABRA1GABRB2 | |
| SCHEMBL70083 | 0.74 | CYP3A4 (0.42) | SHBGESR1ESR2GABRA1GABRB2 | |
| SCHEMBL31028130 | 0.74 | CA1 (0.59) | SHBGESR1ESR2GABRA1GABRB2 | |
| SCHEMBL27647441 | 0.73 | ESR1 (0.44) | SHBGESR1ESR2GABRA1GABRB2 |
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-5783354-A | QUATERNARY AMMONIUM COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 1998-07-21 | — | — | US | disclosed |