Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 7/20 | 0.72 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 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 | |
|---|---|---|---|---|
| SCHEMBL7982226 | 0.74 | KDR (0.49) | KDRFLT1FLT4ADORA1ALDH1A1 | |
| SCHEMBL7739081 | 0.72 | KDR (0.63) | KDRCYP2A6CHEK2ADORA1ADORA2A | |
| SCHEMBL14148546 | 0.72 | KDR (0.63) | KDRFLT1FLT4CNR1ALDH1A1 | |
| SCHEMBL7744076 | 0.70 | KDR (0.46) | KDRFLT1FLT4ADORA1ADORA2A | |
| SCHEMBL7744109 | 0.65 | KDR (0.54) | KDRCYP2A6FLT1FLT4CHEK2 | |
| SCHEMBL14148645 | 0.65 | KDR (0.58) | KDRFLT1FLT4ALDH1A1KDM4E | |
| SCHEMBL7744659 | 0.65 | KDR (0.50) | KDRFLT1FLT4ADORA1ALDH1A1 | |
| SCHEMBL7746647 | 0.65 | KDR (0.41) | KDRFLT1FLT4ADORA1ADORA2A | |
| SCHEMBL7746658 | 0.64 | KDR (0.55) | KDRFLT1FLT4ADORA1ADORA2A | |
| SCHEMBL7739022 | 0.64 | KDR (0.54) | KDRFLT1FLT4ADORA1ALDH1A1 |
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 |