Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 4/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CTSV | O60911 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8533957 | 0.87 | PDE10A (0.51) | ALDH1A1KDM4EGLAGAAHTT | |
| SCHEMBL8536900 | 0.86 | ALDH1A1 (0.44) | ALDH1A1KDM4EGLAGAAHTT | |
| SCHEMBL8532778 | 0.79 | PTGS2 (0.46) | ALDH1A1KDM4EGLAGAAHTT | |
| SCHEMBL21024209 | 0.78 | PDE10A (0.47) | ALDH1A1KDM4EGLAGAAHTT | |
| SCHEMBL8536439 | 0.75 | PDE10A (0.54) | ALDH1A1KDM4EGLAGAAHTT | |
| SCHEMBL9607489 | 0.75 | HTT (0.48) | ALDH1A1KDM4EGLAGAAHTT | |
| SCHEMBL8533456 | 0.75 | PTGS2 (0.52) | ALDH1A1KDM4EGLAGAAHTT | |
| SCHEMBL8638407 | 0.74 | SCD (0.45) | ALDH1A1KDM4EGLAGAAHTT | |
| SCHEMBL695242 | 0.74 | MAPK14 (0.55) | KDM4EGAAMEN1KMT2ACTSV | |
| SCHEMBL26724947 | 0.72 | KIF11 (0.47) | ALDH1A1KDM4EGLAGAAHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | claimed |
| WO-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | disclosed |