Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25443746 | 0.89 | P2RX7 (0.40) | P2RX7ALDH1A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL25443745 | 0.87 | MEN1 (0.40) | P2RX7ALDH1A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL25443744 | 0.86 | MEN1 (0.39) | P2RX7ALDH1A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL25443740 | 0.85 | MEN1 (0.39) | P2RX7ALDH1A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL25443741 | 0.85 | MEN1 (0.39) | P2RX7ALDH1A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL25444274 | 0.84 | PLA2G2A (0.40) | P2RX7ALDH1A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL25443733 | 0.82 | CYP2C9 (0.53) | ALDH1A1CYP2C9CYP2C19CYP2D6KMT2A | |
| SCHEMBL25444273 | 0.77 | P2RX7 (0.40) | P2RX7ALDH1A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL25444272 | 0.76 | LMNA (0.43) | ALDH1A1CYP2C9CYP2C19CYP2D6KMT2A | |
| SCHEMBL26763758 | 0.75 | ALDH1A1 (0.72) | ALDH1A1CYP2C9CYP2C19CYP2D6CYP1A2 |
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-20230146870-A1 | METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS | OHIO STATE INNOVATION FOUNDATION | 2023-05-11 | — | — | US | disclosed |