Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.30 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.30 |
| ▸ | DCLRE1A | Q6PJP8 | 1/20 | 0.30 |
| ▸ | DCLRE1B | Q9H816 | 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 | |
|---|---|---|---|---|
| SCHEMBL10916725 | 0.84 | HSD17B1 (0.45) | HSD17B1BCL2RXRARXRBAR | |
| SCHEMBL30380433 | 0.78 | DCLRE1A (0.47) | HSD17B1BCL2DCLRE1ADCLRE1B | |
| SCHEMBL28992451 | 0.78 | DCLRE1A (0.47) | HSD17B1BCL2DCLRE1ADCLRE1B | |
| SCHEMBL8066042 | 0.77 | HSD17B1 (0.33) | HSD17B1ESR1ESR2 | |
| SCHEMBL8072415 | 0.74 | ALOX5AP (0.32) | ESR1ESR2 | |
| SCHEMBL8064580 | 0.74 | HSD17B1 (0.37) | HSD17B1 | |
| SCHEMBL13699901 | 0.73 | ABL1 (0.48) | ESR2 | |
| SCHEMBL13760149 | 0.73 | MAPT (0.45) | HSD17B1 | |
| SCHEMBL8074574 | 0.73 | RXRA (0.33) | HSD17B1RXRARXRBAR | |
| SCHEMBL533382 | 0.73 | CYP2A6 (0.44) | — |
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-6166072-A | Amino acid derivatives | ALLELIX NEUROSCIENCE, INC. (CA) | 2000-12-26 | — | — | US | disclosed |