Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 11/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | FLT1 | P17948 | 3/20 | 0.36 |
| ▸ | FLT4 | P35916 | 3/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7739081 | 0.77 | KDR (0.63) | KDRCYP2A6CHEK2ATRCYP3A4 | |
| SCHEMBL7982491 | 0.71 | KDM4E (0.38) | KDRCYP11B1CYP11B2FLT1FLT4 | |
| SCHEMBL7744215 | 0.70 | KDM4E (0.39) | KDRCYP11B1CYP11B2FLT1FLT4 | |
| SCHEMBL7746666 | 0.67 | KDM4E (0.41) | KDRFLT1FLT4 | |
| SCHEMBL7744180 | 0.65 | KDR (0.72) | KDRCYP2A6FLT1FLT4CHEK2 | |
| SCHEMBL1884766 | 0.65 | CYP11B1 (0.70) | CYP11B1CYP11B2 | |
| SCHEMBL13035338 | 0.64 | CYP2A6 (1.00) | KDRCYP2A6CYP11B1CYP11B2CHEK2 | |
| SCHEMBL22553727 | 0.61 | ALDH1A1 (0.48) | CYP11B1CYP11B2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30730791 | 0.61 | ALDH1A1 (0.48) | CYP11B1CYP11B2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL26731021 | 0.60 | RAB9A (0.54) | KDRCYP2A6FLT1FLT4ATR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1097147-A4 | NOVEL ANGIOGENESIS INHIBITORS | MERCK & CO INC (US) | 2001-11-21 | — | — | EP | disclosed |
| EP-1097147-A1 | NOVEL ANGIOGENESIS INHIBITORS | Merck & Co., Inc. (US) | 2001-05-09 | — | — | EP | disclosed |
| US-6228871-B1 | THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY | MERCK & CO., INC. | 2001-05-08 | — | — | US | disclosed |
| WO-2000002871-A1 | NOVEL ANGIOGENESIS INHIBITORS | MERCK & CO., INC. (US) | 2000-01-20 | — | — | WO | disclosed |