Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27575737 | 0.84 | CYP3A4 (0.43) | BCL2A1CYP3A4ALDH1A1MEN1MAPT | |
| Hydrochloric Acid SCHEMBL10535649 | 0.82 | CYP3A4 (0.50) | CYP3A4ALDH1A1ALOX15SMN1; SMN2HIF1A | |
| Hydrochloric Acid SCHEMBL27840267 | 0.81 | POLB (0.46) | CYP3A4OPRM1TDP1 | |
| Hydrochloric Acid SCHEMBL28795770 | 0.76 | ALDH1A1 (0.44) | CYP3A4ALDH1A1SMN1; SMN2MAPTKDM4E | |
| SCHEMBL7593179 | 0.74 | EGFR (0.36) | CYP3A4ALDH1A1ALOX15SMN1; SMN2HIF1A | |
| SCHEMBL6517580 | 0.74 | BCL2A1 (0.41) | BCL2A1CYP3A4ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL2792176 | 0.74 | BCL2A1 (0.46) | BCL2A1CYP3A4ALDH1A1SMN1; SMN2HIF1A | |
| SCHEMBL8216746 | 0.72 | L3MBTL1 (0.39) | BCL2A1CYP3A4ALDH1A1MEN1KMT2A | |
| SCHEMBL11504229 | 0.72 | BCL2A1 (0.46) | BCL2A1CYP3A4ALDH1A1MEN1MAPT | |
| SCHEMBL27419401 | 0.71 | DGAT1 (0.45) | ALDH1A1SMN1; SMN2MEN1MAPTKMT2A |
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-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | disclosed |