Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.61 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 3/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2005197 | 0.87 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1HSD17B1PKMBACE1 | |
| SCHEMBL1397612 | 0.84 | POLB (0.71) | HSP90AA1HSP90AB1PKMLCKPOLB | |
| SCHEMBL9763047 | 0.83 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1HSD17B1PKMBACE1 | |
| SCHEMBL14235937 | 0.83 | PARP1 (0.50) | HSP90AA1HSP90AB1LCKALDH1A1MAPK1 | |
| SCHEMBL3347284 | 0.82 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1HSD17B1PKMBACE1 | |
| SCHEMBL5789820 | 0.82 | PKM (0.46) | HSP90AA1HSP90AB1PKMLCKPOLB | |
| SCHEMBL385574 | 0.82 | PKM (0.75) | HSP90AA1HSP90AB1HSD17B1PKMBACE1 | |
| SCHEMBL487507 | 0.82 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1HSD17B1PKMBACE1 | |
| SCHEMBL11419017 | 0.80 | PARP1 (0.47) | LCKALDH1A1MAPK1PARP10PARP1 | |
| SCHEMBL2856590 | 0.80 | HTT (0.68) | HSP90AA1HSP90AB1HSD17B1PKMBACE1 |
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-8268381-B2 | Methods and systems for coating a medical device | ALLACCEM, INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-8067403-B2 | Methods and systems for preparing an antimicrobial composition | ALLACCEM, INC. (US) | 2011-11-29 | — | — | US | disclosed |