Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.41 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.41 |
| ▸ | P2RY2 | P41231 | 2/20 | 0.41 |
| ▸ | BTN3A1 | O00481 | 2/20 | 0.41 |
| ▸ | DUT | P33316 | 4/20 | 0.38 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25714604 | 0.91 | CYP3A4 (0.56) | CYP3A4CYP2C9P2RY6P2RY14P2RY2 | |
| SCHEMBL14671530 | 0.86 | CYP3A4 (0.58) | CYP3A4CYP2C9P2RY6P2RY14P2RY2 | |
| SCHEMBL13660305 | 0.85 | CYP3A4 (0.46) | CYP3A4CYP2C9BTN3A1TYMS | |
| SCHEMBL10280343 | 0.85 | CYP3A4 (0.52) | CYP3A4CYP2C9P2RY6P2RY14P2RY2 | |
| SCHEMBL22003289 | 0.83 | CYP3A4 (0.55) | CYP3A4CYP2C9P2RY6P2RY14P2RY2 | |
| SCHEMBL9909512 | 0.83 | CYP3A4 (0.59) | CYP3A4CYP2C9P2RY6P2RY14P2RY2 | |
| SCHEMBL18089598 | 0.82 | CYP3A4 (0.65) | CYP3A4CYP2C9P2RY6P2RY14P2RY2 | |
| SCHEMBL14596610 | 0.82 | BCHE (0.42) | CYP3A4CYP2C9TYMS | |
| SCHEMBL14596602 | 0.82 | BCHE (0.42) | CYP3A4CYP2C9TYMS | |
| SCHEMBL25721915 | 0.82 | CYP3A4 (0.47) | CYP3A4CYP2C9P2RY6P2RY14P2RY2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7605144-B2 | Enzyme catalyzed therapeutic compounds | CELMED ONCOLOGY (USA), INC. (CA) | 2009-10-20 | — | — | US | disclosed |