Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9652597 | 0.81 | CYP3A4 (0.41) | CYP3A4ALDH1A1SMN1; SMN2MAPTMEN1 | |
| SCHEMBL7807244 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HTTSMN1; SMN2MAPTMEN1 | |
| SCHEMBL7817846 | 0.72 | ALDH1A1 (0.48) | ALDH1A1HTTSMN1; SMN2MAPTMEN1 | |
| SCHEMBL7069265 | 0.72 | ALDH1A1 (0.46) | ALDH1A1HTTSMN1; SMN2MAPTMEN1 | |
| SCHEMBL6446888 | 0.71 | CYP3A4 (0.40) | CYP3A4ALDH1A1HTTSMN1; SMN2MAPT | |
| SCHEMBL7807177 | 0.71 | ALDH1A1 (0.49) | CYP3A4ALDH1A1HTTSMN1; SMN2MAPT | |
| SCHEMBL1494242 | 0.66 | ALDH1A1 (0.41) | CYP3A4ALDH1A1SMN1; SMN2MAPTMEN1 | |
| SCHEMBL3622490 | 0.64 | SMN1; SMN2 (0.41) | CYP3A4ALDH1A1SMN1; SMN2MAPTMEN1 | |
| SCHEMBL6751984 | 0.63 | KDM4E (0.46) | ALDH1A1HTTMAPTMEN1KMT2A | |
| SCHEMBL3618026 | 0.63 | ALDH1A1 (0.39) | CYP3A4ALDH1A1SMN1; SMN2MAPTMEN1 |
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-1129083-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-09-05 | — | — | EP | disclosed |
| JP-2000204085-A | ISOTHIAZOLE CARBOXYLIC ACID DERIVATIVE AND DISEASE CONTROLLING AGENT | NIPPON BAYER AGROCHEM CO LTD | 2000-07-25 | — | — | JP | disclosed |
| WO-2000029398-A1 | ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES | NIHON BAYER AGROCHEM K.K. (JP) | 2000-05-25 | — | — | WO | disclosed |