Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 13/20 | 0.65 |
| ▸ | PPARG | P37231 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3094061 | 0.91 | NTRK1 (0.80) | NTRK1PPARG | |
| SCHEMBL7833961 | 0.84 | NTRK1 (0.48) | NTRK1PPARGALDH1A1CYP2C9PKM | |
| SCHEMBL7827670 | 0.83 | KDR (0.51) | NTRK1PPARGALDH1A1CYP2C9 | |
| SCHEMBL7831354 | 0.81 | NTRK1 (0.50) | NTRK1ALDH1A1L3MBTL1 | |
| SCHEMBL7820566 | 0.80 | NTRK1 (0.49) | NTRK1ALDH1A1L3MBTL1 | |
| SCHEMBL3096583 | 0.78 | NTRK1 (0.62) | NTRK1CYP2C9 | |
| SCHEMBL7543844 | 0.77 | NTRK1 (0.47) | NTRK1PPARG | |
| SCHEMBL3087313 | 0.76 | NTRK1 (0.59) | NTRK1PPARG | |
| SCHEMBL7827451 | 0.76 | NTRK1 (0.62) | NTRK1ALDH1A1 | |
| SCHEMBL3087133 | 0.76 | NTRK1 (0.59) | NTRK1 |
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-1084114-A1 | ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS | Pfizer Products Inc. (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062890-A1 | ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER PRODUCTS INC. (US) | 1999-12-09 | — | — | WO | disclosed |