Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.43 |
| ▸ | PRNP | P04156 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1224169 | 0.81 | L3MBTL1 (0.60) | L3MBTL1CASP3ALDH1A1KDM4EGAA | |
| SCHEMBL4483729 | 0.77 | ALDH1A1 (0.58) | L3MBTL1CASP3ALDH1A1KDM4EGAA | |
| SCHEMBL7609731 | 0.77 | HSD17B10 (0.42) | L3MBTL1CASP3ALDH1A1KDM4EGAA | |
| SCHEMBL6654938 | 0.75 | ALDH1A1 (0.47) | L3MBTL1CASP3ALDH1A1KDM4EGAA | |
| SCHEMBL28121717 | 0.73 | ALDH1A1 (0.54) | L3MBTL1CASP3ALDH1A1KDM4EGAA | |
| SCHEMBL12144951 | 0.71 | ALDH1A1 (0.42) | L3MBTL1CASP3ALDH1A1KDM4EGAA | |
| SCHEMBL12909980 | 0.70 | NUDT1 (0.43) | L3MBTL1CASP3ALDH1A1KDM4EGAA | |
| SCHEMBL15724648 | 0.70 | CYP1A2 (0.57) | CASP3ALDH1A1KDM4EGAAHTT | |
| SCHEMBL30048942 | 0.70 | CYP1A2 (0.57) | CASP3ALDH1A1KDM4EGAAHTT | |
| SCHEMBL1999627 | 0.69 | ALDH1A1 (0.78) | L3MBTL1ALDH1A1KDM4EGAAHTT |
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-1737823-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2007-01-03 | — | — | EP | disclosed |
| WO-2005103002-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |