Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | PPOX | P50336 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL10647792 | 0.85 | SLC22A12 (0.43) | ALDH1A1PPARAESR1ESR2KMT2A | |
| SCHEMBL10658011 | 0.80 | PPARA (0.59) | ALDH1A1ABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL10737449 | 0.80 | ALDH1A1 (0.51) | ALDH1A1NPSR1CYP1A2CYP3A4TSHR | |
| SCHEMBL10644288 | 0.79 | CNR2 (0.43) | ALDH1A1ABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL10643453 | 0.79 | ABCB11 (0.38) | ALDH1A1ABCB11CYP1A2CYP3A4TSHR | |
| SCHEMBL469433 | 0.77 | CYP1A2 (0.56) | ALDH1A1NPSR1ABCB11CYP1A2CYP3A4 | |
| SCHEMBL10648536 | 0.74 | HTT (0.42) | ALDH1A1NPSR1PPARAESR1ESR2 | |
| SCHEMBL10660557 | 0.74 | ALDH2 (0.50) | ALDH1A1NPSR1ESR1ESR2KDM4E | |
| SCHEMBL11541564 | 0.73 | CYP1A2 (0.52) | ALDH1A1NPSR1ABCB11CYP1A2CYP3A4 | |
| SCHEMBL10658226 | 0.73 | AR (0.53) | ALDH1A1CYP1A2TSHRESR1ESR2 |
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 6 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 |
| EP-0147691-B1 | ANTIHYPERTENSIVE 3-ARYL-1,2-BENZISOXAZOLSULFONYL AND-SULFINYL-ALKANOIC ACIDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-01-20 | — | — | EP | disclosed |
| US-4673746-A | DIURETICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-16 | — | — | US | disclosed |
| US-4602028-A | Antihypertensive 3-aryl-1,2-benzisoxazol-sulfonyl and sulfinylalkanoic acids | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1986-07-22 | — | — | US | disclosed |
| EP-0147691-A1 | Antihypertensive 3-aryl-1,2-benzisoxazolsulfonyl and-sulfinyl-alkanoic acids, a process for their preparation and their use for the preparation of medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1985-07-10 | — | — | EP | disclosed |