Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | P2RX4 | Q99571 | 7/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23499548 | 0.75 | ALDH1A1 (0.36) | ALDH1A1PIK3CACYP1A2CYP2D6 | |
| SCHEMBL23499538 | 0.72 | MMP2 (0.38) | ALDH1A1PIK3CAP2RX4 | |
| SCHEMBL11846839 | 0.71 | KCNN4 (0.51) | ALDH1A1 | |
| SCHEMBL698045 | 0.70 | GPBAR1 (0.41) | P2RX4CYP1A2CYP2D6MAPK1KDM4E | |
| SCHEMBL13729343 | 0.67 | ALDH1A1 (0.36) | ALDH1A1PIK3CA | |
| SCHEMBL626415 | 0.66 | PDE4B (0.40) | P2RX4CYP1A2CYP2D6MAPK1KDM4E | |
| SCHEMBL8145288 | 0.64 | GRM5 (0.43) | ALDH1A1PIK3CA | |
| SCHEMBL11707694 | 0.64 | HSP90AA1 (0.48) | PIK3CAP2RX4KDM4E | |
| SCHEMBL17023627 | 0.63 | OPRD1 (0.53) | ALDH1A1KDM4ENPSR1L3MBTL1PKM | |
| SCHEMBL14288741 | 0.63 | NR1H2 (0.58) | ALDH1A1P2RX4KDM4ESETD7 |
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-4002639-A | ANTIINFLAMMATORY AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1977-01-11 | — | — | US | disclosed |