Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | KMO | O15229 | 2/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
| ▸ | GABRE | P78334 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11558638 | 0.89 | MAPK14 (0.37) | GABRA5GRM2KITMAPK14 | |
| SCHEMBL10729852 | 0.83 | ESR1 (0.40) | GABRA5KMOGRM2ALDH1A1 | |
| SCHEMBL11560540 | 0.83 | PTGS1 (0.33) | GABRA5APEX1CHRNA7HTR3APTGS1 | |
| SCHEMBL11558673 | 0.83 | PTGS1 (0.45) | GABRA5APEX1GABRPGABRDGABRA1 | |
| SCHEMBL10662366 | 0.80 | HTR3A (0.39) | GABRA5KITCHRNA7HTR3AALDH1A1 | |
| SCHEMBL11557734 | 0.78 | HTR2A (0.39) | HTR3AALDH1A1GPBAR1 | |
| SCHEMBL11563201 | 0.78 | PTGS1 (0.38) | GABRA5APEX1GPBAR1PTGS1 | |
| SCHEMBL11560465 | 0.77 | PTGS1 (0.36) | ALDH1A1GPBAR1PTGS1 | |
| SCHEMBL10733378 | 0.76 | GABRA5 (0.37) | GABRA5KITSIGMAR1 | |
| SCHEMBL10661037 | 0.76 | PTGDR2 (0.47) | — |
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 |