Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12661132 | 0.85 | ALDH1A1 (0.48) | ALDH1A1ALOX15SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL12661500 | 0.78 | NPC1 (0.31) | — | |
| SCHEMBL23709692 | 0.77 | ITGB2 (0.43) | ALDH1A1ALOX15HPGDHSD17B10CYP3A4 | |
| SCHEMBL19312375 | 0.76 | CYP3A4 (0.36) | ALDH1A1ALOX15SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL12519303 | 0.75 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HPGDMAPK1CYP3A4 | |
| SCHEMBL3783594 | 0.74 | CYP3A4 (0.52) | ALDH1A1ALOX15SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL30422063 | 0.74 | CYP3A4 (0.52) | ALDH1A1ALOX15SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL7453199 | 0.73 | CYP3A4 (0.56) | ALDH1A1ALOX15SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL17900858 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HPGDHSD17B10TSHRTDP1 | |
| SCHEMBL12285092 | 0.72 | MAPT (0.50) | ALDH1A1ALOX15SMN1; SMN2HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1473334-B1 | JET PRINTING INK AND METHOD OF INK JET PRINTING | FUJIFILM CORP (JP) | 2011-11-09 | — | — | EP | disclosed |
| WO-2009050242-A2 | HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |