Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.53 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 5/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KLK7 | P49862 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10656236 | 0.92 | ALDH2 (0.46) | ARALDH2ESR1ESR2ALDH1A1 | |
| SCHEMBL10663764 | 0.89 | SMN1; SMN2 (0.45) | ARALDH2ESR1ESR2SMN1; SMN2 | |
| SCHEMBL10660557 | 0.88 | ALDH2 (0.50) | ARALDH2ESR1ESR2ALDH1A1 | |
| SCHEMBL10659695 | 0.83 | PPARG (0.46) | ALDH2 | |
| SCHEMBL3378337 | 0.83 | PPARG (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL10658011 | 0.80 | PPARA (0.59) | ESR1ESR2CYP1A2TSHRALDH1A1 | |
| SCHEMBL10737449 | 0.78 | ALDH1A1 (0.51) | ESR1ESR2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11234294 | 0.77 | CYP1A2 (0.56) | ARCYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL10658222 | 0.76 | ESR1 (0.41) | ESR1ESR2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10663175 | 0.75 | MAP4K4 (0.50) | ALDH2ESR1ESR2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4673746-A | DIURETICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-16 | — | — | US | claimed |
| US-4728662-A | DIURETICS, URICOSURICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-03-01 | — | — | US | disclosed |
| US-4673746-A | DIURETICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-16 | — | — | US | disclosed |