Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 6/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.40 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
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 | 0.94 | KDR (0.56) | KDRCHEK1CDK1CDK2POLB | |
| SCHEMBL5359367 | 0.86 | TSHR (0.49) | KDRCHEK1POLBTSHRNPSR1 | |
| SCHEMBL5357812 | 0.83 | KDR (0.49) | KDRCHEK1CDK1CDK2HTR2C | |
| SCHEMBL14590420 | 0.82 | CDK1 (0.45) | KDRCDK1CDK2POLBTSHR | |
| SCHEMBL5367618 | 0.80 | CDK1 (0.47) | KDRCDK1CDK2POLBTSHR | |
| SCHEMBL142898 | 0.78 | HTR2C (0.57) | KDRCHEK1HTR2CKDM4EHSD17B10 | |
| SCHEMBL29141944 | 0.75 | TPSAB1 (0.61) | POLBTSHRNPSR1ALDH1A1TPSAB1 | |
| SCHEMBL5355164 | 0.75 | VCP (0.41) | KDRCHEK1TSHRKDM4EHSD17B10 | |
| SCHEMBL5363140 | 0.74 | KDR (0.63) | KDRCHEK1POLBKDM4EHSD17B10 | |
| SCHEMBL139863 | 0.73 | KDR (0.59) | KDRCHEK1HTR2CKDM4EHSD17B10 |
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 |