Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | ACVR2A | P27037 | 1/20 | 0.34 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3077190 | 0.91 | ACVR2A (0.42) | ACVR2ATGFBR2KDRS1PR1S1PR3 | |
| SCHEMBL7832538 | 0.85 | EPHX1 (0.43) | NPC1RAB9ASMN1; SMN2KDRPLK4 | |
| SCHEMBL7828953 | 0.83 | KDR (0.43) | KDRPLK4AURKAEPHB6RIPK2 | |
| SCHEMBL3083966 | 0.80 | ACVR2A (0.43) | ACVR2ATGFBR2KDRMAPTLMNA | |
| SCHEMBL7827774 | 0.79 | KDR (0.41) | SMN1; SMN2KDRPLK4AURKAEPHB6 | |
| SCHEMBL3090746 | 0.76 | KDR (0.48) | ACVR2ATGFBR2KDRMAPTCNR2 | |
| SCHEMBL3091043 | 0.75 | KDR (0.52) | SMN1; SMN2ACVR2ATGFBR2KDRPLK4 | |
| SCHEMBL3085668 | 0.75 | KDR (0.55) | ACVR2ATGFBR2KDRMAPTCNR2 | |
| SCHEMBL3096674 | 0.74 | KDR (0.52) | ACVR2ATGFBR2KDRPLK4AURKA | |
| SCHEMBL3079222 | 0.74 | KDR (0.52) | ACVR2ATGFBR2KDRPLK4AURKA |
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 |