Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10948793 | 0.81 | CYP3A4 (0.50) | CYP3A4CD44MAPTHTR3EHTR3B | |
| SCHEMBL8772397 | 0.79 | CYP3A4 (0.48) | CYP3A4CD44MAPTRAPGEF4GAA | |
| SCHEMBL11223750 | 0.78 | ALDH1A1 (0.46) | CYP3A4MAPTHTR3AKMT2AALDH1A1 | |
| SCHEMBL12749947 | 0.75 | CYP3A4 (0.45) | CYP3A4CD44MAPTHTR3EHTR3B | |
| SCHEMBL12749869 | 0.74 | CYP3A4 (0.43) | CYP3A4MAPTRAPGEF4KMT2AMEN1 | |
| SCHEMBL8036070 | 0.74 | CYP3A4 (0.43) | CYP3A4MAPTRAPGEF4GAAKMT2A | |
| SCHEMBL19203396 | 0.73 | HDAC1 (0.37) | MAPTKMT2AALDH1A1 | |
| SCHEMBL9798590 | 0.72 | SMN1; SMN2 (0.47) | CYP3A4CD44MAPTRAPGEF4GAA | |
| SCHEMBL22688977 | 0.70 | ALDH1A1 (0.44) | CYP3A4MAPTHTR3EHTR3BHTR3A | |
| SCHEMBL11211576 | 0.70 | ALDH1A1 (0.50) | CYP3A4MAPTGAAKMT2AMEN1 |
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-2023242631-A1 | ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | LEGOCHEM BIOSCIENCES, INC. (KR) | 2023-12-21 | — | — | WO | disclosed |