Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | NPY1R | P25929 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPY2R | P49146 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 8/20 | 0.38 |
| ▸ | FNTB | P49356 | 8/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 5/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7069265 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HTTSMN1; SMN2KMT2AMAPT | |
| SCHEMBL7807177 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HTTSMN1; SMN2KMT2AMAPT | |
| SCHEMBL7807244 | 0.80 | ALDH1A1 (0.46) | ALDH1A1HTTSMN1; SMN2KMT2AMAPT | |
| SCHEMBL7817973 | 0.77 | HTT (0.42) | ALDH1A1HTTSMN1; SMN2KMT2AMAPT | |
| SCHEMBL7824890 | 0.73 | GRIA4 (0.39) | ALDH1A1HTTSMN1; SMN2L3MBTL1GRIA4 | |
| SCHEMBL1170450 | 0.73 | ALDH1A1 (0.38) | ALDH1A1HTTSMN1; SMN2MAPK1TDP1 | |
| SCHEMBL10581425 | 0.71 | ALDH1A1 (0.36) | ALDH1A1HTTSMN1; SMN2MAPK1TDP1 | |
| Hydrochloric Acid SCHEMBL6230305 | 0.71 | ALDH1A1 (0.36) | ALDH1A1HTTSMN1; SMN2MAPK1TDP1 | |
| SCHEMBL28069297 | 0.71 | ALDH1A1 (0.36) | ALDH1A1HTTSMN1; SMN2MAPK1TDP1 | |
| SCHEMBL30852637 | 0.70 | GRIA4 (0.46) | ALDH1A1HTTKMT2AMEN1GRIA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1129083-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000029398-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2000-05-25 | — | — | WO | disclosed |