Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28041255 | 0.83 | ADRA1A (0.51) | HTR2AIDO1ADRA1ATAAR1GAA | |
| SCHEMBL7418739 | 0.83 | HSD17B10 (0.45) | HTR2AIDO1ADRA1ATAAR1HSD17B10 | |
| SCHEMBL1264360 | 0.82 | HTR2A (0.62) | HTR2AIDO1ADRA1ATAAR1HSD17B10 | |
| SCHEMBL18149258 | 0.79 | ALDH1A1 (0.44) | GAAMEN1POLBMAPTKMT2A | |
| SCHEMBL18150301 | 0.77 | SLC6A4 (0.39) | HTR2APDE4BCYP2D6 | |
| SCHEMBL18151138 | 0.77 | L3MBTL1 (0.38) | MEN1KMT2A | |
| SCHEMBL30646923 | 0.76 | L3MBTL1 (0.48) | HTR2AHSD17B10MEN1POLBMAPT | |
| SCHEMBL1097224 | 0.76 | L3MBTL1 (0.48) | HTR2AHSD17B10MEN1POLBMAPT | |
| SCHEMBL20489173 | 0.76 | MTNR1A (0.52) | HTR2AIDO1ADRA1ATAAR1GAA | |
| SCHEMBL16953984 | 0.75 | MAPT (0.48) | HTR2AADRA1AGAACA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1163214-A1 | GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 | Merck Frosst Canada & Co. (CA) | 2001-12-19 | — | — | EP | disclosed |
| US-6225288-B1 | IMPLICATED IN MODULATING APOPTOSIS; TREATMENT OF:CARDIAC AND CEREBRAL ISCHEMIA/REPERFUSION INJURY, SPINAL CORD INJURY AND ORGAN DAMAGE DURING TRANSPLANTATION, CHRONIC NEURODEGENERATIVE DISEASES, IMMUNODEFICIENCY, DIABETES, ALOPECIA, AGING | MERK FROSST CANADA & CO. (CA) | 2001-05-01 | — | — | US | disclosed |
| WO-2000055127-A1 | GAMMA-KETOACID DIPEPTIDES AS INHIBITORS OF CASPASE-3 | MERCK FROSST CANADA & CO. (CA) | 2000-09-21 | — | — | WO | disclosed |