Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | TACR3 | P29371 | 2/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10644924 | 0.86 | ESR1 (0.39) | ESR1ESR2NPC1RAB9AEPAS1 | |
| SCHEMBL10642649 | 0.80 | MMP2 (0.50) | ESR1ESR2MMP2MMP9 | |
| SCHEMBL10842370 | 0.79 | FFAR1 (0.46) | ESR1ESR2NPC1RAB9AMMP2 | |
| SCHEMBL10645064 | 0.78 | GPBAR1 (0.36) | NPC1RAB9ATACR3ALDH1A1GPBAR1 | |
| SCHEMBL10644382 | 0.77 | ESR1 (0.37) | ESR1ESR2NPC1RAB9ATACR3 | |
| SCHEMBL10646952 | 0.76 | HTT (0.41) | ESR1ESR2NPC1RAB9ATACR3 | |
| SCHEMBL10645089 | 0.73 | ESR1 (0.39) | ESR1ESR2NPC1RAB9ATACR3 | |
| SCHEMBL10645094 | 0.73 | ESR1 (0.40) | ESR1ESR2NPC1RAB9ATACR3 | |
| SCHEMBL10642074 | 0.73 | SLC22A12 (0.41) | ESR1ESR2NPC1RAB9AEPAS1 | |
| SCHEMBL11558270 | 0.71 | ESR1 (0.48) | ESR1ESR2NPC1RAB9AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4602028-A | Antihypertensive 3-aryl-1,2-benzisoxazol-sulfonyl and sulfinylalkanoic acids | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1986-07-22 | — | — | US | claimed |
| 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-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 |