Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14590420 | 0.93 | CDK1 (0.45) | CDK1CDK2PARP1POLBHTR2C | |
| SCHEMBL5354824 | 0.82 | KDR (0.56) | CDK1CDK2POLBHTR2CLMNA | |
| SCHEMBL5368202 | 0.80 | KDR (0.53) | CDK1CDK2POLBHTR2CALDH1A1 | |
| SCHEMBL5357812 | 0.75 | KDR (0.49) | CDK1CDK2HTR2CALDH1A1KDR | |
| SCHEMBL14559410 | 0.75 | KDR (0.57) | PARP1LMNAALDH1A1MAPTKDR | |
| SCHEMBL5371327 | 0.74 | SLC6A2 (0.56) | ALDH1A1TSHRMAPTKDRRXFP1 | |
| SCHEMBL5355475 | 0.74 | KDR (0.68) | POLBLMNAALDH1A1TSHRMAPT | |
| SCHEMBL12577305 | 0.73 | BRAF (0.55) | CDK1CDK2PARP1POLBBRAF | |
| SCHEMBL5370747 | 0.72 | KDR (0.67) | POLBLMNAALDH1A1TSHRNPSR1 | |
| SCHEMBL5359367 | 0.71 | TSHR (0.49) | POLBTSHRNPSR1MAPTKDR |
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 |