Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7828201 | 0.94 | KDR (0.43) | HAO1RAB9ALMNANPC1MAPK1 | |
| SCHEMBL7819682 | 0.94 | KDR (0.41) | HAO1RAB9ALMNANPC1MAPK1 | |
| SCHEMBL7819524 | 0.94 | KDR (0.41) | HAO1RAB9ALMNANPC1MAPK1 | |
| SCHEMBL7831837 | 0.93 | KDR (0.44) | HAO1RAB9ALMNANPC1MAPK1 | |
| SCHEMBL7830387 | 0.93 | HAO1 (0.41) | HAO1RAB9ALMNANPC1MAPK1 | |
| SCHEMBL7829778 | 0.92 | KDR (0.41) | HAO1RAB9ALMNANPC1MAPK1 | |
| SCHEMBL7831508 | 0.92 | HAO1 (0.40) | HAO1RAB9ALMNANPC1MAPK1 | |
| SCHEMBL3085783 | 0.90 | KDR (0.46) | RAB9ALMNANPC1MAPK1XBP1 | |
| SCHEMBL3084389 | 0.89 | KDR (0.47) | RAB9ALMNANPC1MAPK1XBP1 | |
| SCHEMBL7831216 | 0.87 | LMNA (0.40) | HAO1RAB9ALMNANPC1MAPK1 |
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 |