Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
| ▸ | SFRP1 | Q8N474 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14176668 | 0.88 | ALDH1A1 (0.58) | HTTPOLBALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL9662390 | 0.86 | HTT (0.52) | HTTPOLBALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL8058697 | 0.84 | HTR6 (0.46) | POLBALDH1A1SMN1; SMN2MAPTKMT2A | |
| SCHEMBL7417562 | 0.81 | TP53 (0.42) | HTTPOLBALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL9659632 | 0.79 | ALDH1A1 (0.50) | HTTPOLBALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL1949836 | 0.79 | HTT (0.57) | HTTPOLBALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL7416443 | 0.79 | MMP2 (0.47) | ALDH1A1LMNAPTGDR2 | |
| SCHEMBL9659630 | 0.79 | FFAR4 (0.53) | SMN1; SMN2MAPTLMNATDP1 | |
| SCHEMBL8061989 | 0.77 | HTR6 (0.45) | HTTPOLBALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL20847652 | 0.76 | MEN1 (0.66) | HTTALDH1A1SMN1; SMN2MAPTKMT2A |
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 |