Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.37 |
| ▸ | TACR3 | P29371 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.35 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10645094 | 0.86 | ESR1 (0.40) | ESR1ESR2AKR1C3AKR1C2TACR3 | |
| SCHEMBL10646952 | 0.74 | HTT (0.41) | ESR1ESR2TACR3NPC1RAB9A | |
| SCHEMBL10642245 | 0.73 | ESR1 (0.37) | ESR1ESR2TACR3NPC1RAB9A | |
| SCHEMBL10644382 | 0.73 | ESR1 (0.37) | ESR1ESR2TACR3NPC1RAB9A | |
| SCHEMBL10661793 | 0.71 | ESR1 (0.72) | ESR1ESR2 | |
| SCHEMBL11558270 | 0.71 | ESR1 (0.48) | ESR1ESR2NPC1RAB9AGABRA5 | |
| SCHEMBL10842370 | 0.70 | FFAR1 (0.46) | ESR1ESR2NPC1RAB9AGPBAR1 | |
| SCHEMBL10642074 | 0.70 | SLC22A12 (0.41) | ESR1ESR2NPC1RAB9AGPBAR1 | |
| SCHEMBL10661416 | 0.69 | ALDH1A1 (0.50) | ESR1ESR2AKR1C3AKR1C2 | |
| SCHEMBL10644924 | 0.69 | ESR1 (0.39) | ESR1ESR2NPC1RAB9AGPBAR1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |