Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Glycinebetaine SCHEMBL3919091 | 0.90 | ALDH1A1 (0.33) | ALDH1A1TBXA2RPKMGAAPPARG | |
| SCHEMBL12283977 | 0.79 | MAPK1 (0.41) | ALDH1A1HDAC11MAPTRXFP1NPC1 | |
| SCHEMBL14457770 | 0.79 | HDAC11 (0.37) | ALDH1A1HDAC11MAPTRXFP1NPC1 | |
| SCHEMBL10138108 | 0.79 | HDAC11 (0.37) | ALDH1A1HDAC11MAPTRXFP1NPC1 | |
| SCHEMBL6262227 | 0.75 | KDM4E (0.49) | ALDH1A1MAPTNPC1POLBRAB9A | |
| SCHEMBL12283714 | 0.73 | HSD17B10 (0.39) | ALDH1A1HDAC11SMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL6673095 | 0.73 | POLB (0.69) | ALDH1A1TBXA2RHDAC11MAPTRXFP1 | |
| Bromide SCHEMBL285416 | 0.72 | POLB (0.72) | ALDH1A1TBXA2RHDAC11MAPTRXFP1 | |
| SCHEMBL6670928 | 0.69 | MEN1 (0.38) | ALDH1A1POLB | |
| Dodecanoate SCHEMBL6915224 | 0.69 | GPR84 (0.53) | ALDH1A1TBXA2RHDAC11MAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1318177-A2 | Compound, in particular marker-dye, based on polymethines | Dyomics GmbH (DE) | 2003-06-11 | — | — | EP | disclosed |