Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCP | P55072 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 5/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL5354824 | 0.77 | KDR (0.56) | KDRCHEK1PKMTSHRLMNA | |
| SCHEMBL5359367 | 0.76 | TSHR (0.49) | KDRCHEK1KDM4EPKMTSHR | |
| SCHEMBL14625890 | 0.75 | VCP (0.34) | VCPKDRKDM4EPKMTSHR | |
| SCHEMBL5368202 | 0.75 | KDR (0.53) | VCPKDRCHEK1KDM4EPKM | |
| SCHEMBL5357812 | 0.74 | KDR (0.49) | VCPKDRCHEK1KDM4EKLK7 | |
| SCHEMBL5367618 | 0.67 | CDK1 (0.47) | KDRKDM4ETSHRLMNAALDH1A1 | |
| SCHEMBL14590420 | 0.65 | CDK1 (0.45) | KDRKDM4EPKMTSHRLMNA | |
| SCHEMBL139863 | 0.65 | KDR (0.59) | KDRCHEK1KDM4ELMNAALDH1A1 | |
| SCHEMBL1348432 | 0.65 | CYP2C9 (0.50) | PKMTSHRKLK7CYP2C9CYP2C19 | |
| SCHEMBL5356295 | 0.64 | KDR (0.73) | VCPKDRCHEK1PKM |
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 |
|---|---|---|---|---|---|---|---|
| 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 |