Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 9/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 6/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.39 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.39 |
| ▸ | STK10 | O94804 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | YES1 | P07947 | 1/20 | 0.39 |
| ▸ | LYN | P07948 | 1/20 | 0.39 |
| ▸ | RET | P07949 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7832538 | 0.93 | EPHX1 (0.43) | KDREPHX1ALDH1A1HTTPDGFRB | |
| SCHEMBL3079222 | 0.91 | KDR (0.52) | KDREPHX1ALDH1A1HTTPDGFRB | |
| SCHEMBL3096674 | 0.91 | KDR (0.52) | KDREPHX1ALDH1A1HTTPDGFRB | |
| SCHEMBL7827774 | 0.90 | KDR (0.41) | KDREPHX1ALDH1A1HTTPDGFRB | |
| SCHEMBL3085668 | 0.87 | KDR (0.55) | KDREPHX1ALDH1A1HTTPDGFRB | |
| SCHEMBL3090746 | 0.84 | KDR (0.48) | KDRPDGFRBPLK4AURKAEPHB6 | |
| SCHEMBL3091043 | 0.84 | KDR (0.52) | KDREPHX1ALDH1A1HTTPDGFRB | |
| SCHEMBL7828143 | 0.83 | PLA2G4B (0.35) | KDRPDGFRBPLK4AURKAEPHB6 | |
| SCHEMBL7834357 | 0.83 | SMPD1 (0.41) | KDR | |
| SCHEMBL3090794 | 0.81 | KDR (0.49) | KDREPHX1ALDH1A1HTTPDGFRB |
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 |