Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.35 |
| ▸ | PDE8B | O95263 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | HEXA | P06865 | 1/20 | 0.31 |
| ▸ | HEXB | P07686 | 1/20 | 0.31 |
| ▸ | ILK | Q13418 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4455888 | 0.78 | HCAR2 (0.43) | DHFRCYP1A2DRD4 | |
| SCHEMBL1792501 | 0.74 | IGF1R (0.52) | — | |
| SCHEMBL4074269 | 0.73 | NTRK1 (0.49) | — | |
| SCHEMBL4469628 | 0.72 | ADORA2A (0.41) | DHFRPDE8BPIK3CA | |
| SCHEMBL4470547 | 0.71 | CDC7 (0.33) | HRH4PDE8BHRH3 | |
| SCHEMBL30782745 | 0.68 | HRH4 (0.40) | DHFRHRH4HRH3PIK3CA | |
| SCHEMBL31663246 | 0.67 | KMT2A (0.40) | HRH4ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL25338891 | 0.66 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL14722727 | 0.66 | HCAR2 (0.42) | ALDH1A1CYP1A2DRD4 | |
| SCHEMBL170833 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | claimed |