Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1576395 | 0.82 | TSHR (0.44) | TP53POLBGAATSHRHTT | |
| SCHEMBL138352 | 0.82 | HSD17B10 (0.44) | TP53POLBGAATSHRHTT | |
| SCHEMBL441545 | 0.73 | HSP90AB1 (0.43) | TP53POLBGAATSHRHTT | |
| SCHEMBL30562916 | 0.73 | HSP90AB1 (0.43) | TP53POLBGAATSHRHTT | |
| SCHEMBL2871435 | 0.73 | — | — | |
| SCHEMBL9190048 | 0.71 | CYP1A2 (0.44) | TSHR | |
| SCHEMBL1577050 | 0.71 | HSP90AA1 (0.50) | TP53POLBGAATSHRHTT | |
| SCHEMBL9266759 | 0.71 | TP53 (0.39) | TP53POLBGAATSHRHTT | |
| Fluoride SCHEMBL31379739 | 0.71 | HSP90AB1 (0.41) | TP53POLBGAATSHRHTT | |
| SCHEMBL10351075 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6562844-B2 | Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | claimed |