Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 2/20 | 0.37 |
| ▸ | GABRD | O14764 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10661793 | 0.81 | ESR1 (0.72) | ESR1ESR2HSP90AA1CA12CA9 | |
| SCHEMBL11558759 | 0.79 | NPC1 (0.46) | NPC1RAB9AHTR7HPGDSMN1; SMN2 | |
| SCHEMBL11557509 | 0.78 | PTGS1 (0.41) | ESR1ESR2NPC1RAB9AHTR7 | |
| SCHEMBL10661492 | 0.78 | NPC1 (0.55) | ESR1ESR2NPC1RAB9AHPGD | |
| SCHEMBL10842370 | 0.76 | FFAR1 (0.46) | ESR1ESR2NPC1RAB9A | |
| SCHEMBL10644924 | 0.74 | ESR1 (0.39) | ESR1ESR2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10661416 | 0.74 | ALDH1A1 (0.50) | ESR1ESR2HPGDSMN1; SMN2KDM4E | |
| SCHEMBL10734618 | 0.74 | ESR1 (0.41) | ESR1ESR2NPC1RAB9AHTR7 | |
| SCHEMBL10642074 | 0.73 | SLC22A12 (0.41) | ESR1ESR2NPC1RAB9AKDM4E | |
| SCHEMBL10730137 | 0.73 | ESR1 (0.40) | ESR1ESR2NPC1RAB9AHTR7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0002666-A1 | 1,2-Benzisoxazolyloxy (or thio) acetic acids and related compounds, process for their preparation and medicines containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-07-11 | — | — | EP | disclosed |