Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | RXRB | P28702 | 2/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 4/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1340677 | 0.80 | PTGS1 (0.53) | KDM4EALDH1A1HPGDHSD17B10USP2 | |
| SCHEMBL3316024 | 0.77 | KMT2A (0.50) | KDM4EALDH1A1HPGDHSD17B10USP2 | |
| SCHEMBL15276735 | 0.77 | MEN1 (0.50) | KDM4EALDH1A1HPGDHSD17B10CES1 | |
| SCHEMBL1340970 | 0.77 | MEN1 (0.49) | KDM4EALDH1A1HPGDHSD17B10SRD5A2 | |
| SCHEMBL6497992 | 0.75 | CYP2C8 (0.48) | CYP2C8SRD5A2RXRARXRBKIF11 | |
| SCHEMBL7460889 | 0.73 | KIF11 (0.50) | CASP3KIF11BACE1 | |
| SCHEMBL15775800 | 0.73 | ACMSD (0.46) | KDM4ECYP2C19EIF4E | |
| SCHEMBL7076248 | 0.72 | SMN1; SMN2 (0.54) | KDM4EALDH1A1HPGD | |
| SCHEMBL11629336 | 0.72 | RAB9A (0.49) | KDM4EALDH1A1HPGDRXRARXRB | |
| SCHEMBL3345343 | 0.72 | ALDH1A1 (0.43) | KDM4EALDH1A1HPGDHSD17B10MAPK8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011034962-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2011-03-24 | — | — | WO | disclosed |