Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 10/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.37 |
| ▸ | FEN1 | P39748 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5361067 | 0.89 | KDR (0.49) | KDRSLC6A2SLC6A4CHEK1ALOX5AP | |
| SCHEMBL5354782 | 0.84 | KDR (0.65) | KDRSLC6A2SLC6A4CHEK1 | |
| SCHEMBL5370412 | 0.84 | SLC6A2 (0.62) | KDRSLC6A2SLC6A4CHEK1ALDH1A1 | |
| SCHEMBL140728 | 0.80 | KDR (0.50) | KDRSLC6A2SLC6A4CHEK1 | |
| SCHEMBL5370108 | 0.78 | SLC6A2 (0.52) | KDRSLC6A2SLC6A4CHEK1ALOX5AP | |
| SCHEMBL5371327 | 0.78 | SLC6A2 (0.56) | KDRSLC6A2SLC6A4ALOX5APFEN1 | |
| SCHEMBL5350566 | 0.76 | SLC6A2 (0.56) | KDRSLC6A2SLC6A4HTR2AALOX5AP | |
| SCHEMBL5367711 | 0.74 | KDR (0.70) | KDRSLC6A4CHEK1ALDH1A1CYP3A4 | |
| SCHEMBL143284 | 0.73 | KDR (0.65) | KDRSLC6A2SLC6A4CHEK1 | |
| SCHEMBL147257 | 0.73 | KDR (0.58) | KDRSLC6A2SLC6A4CHEK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7169788-B2 | Tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2007-01-30 | — | — | US | disclosed |
| US-7169788-B2 | Tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2007-01-30 | — | — | US | disclosed |
| US-7169788-B2 | Tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2007-01-30 | — | — | US | disclosed |