Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | P2RX4 | Q99571 | 8/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 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 | |
|---|---|---|---|---|
| SCHEMBL2222028 | 0.92 | P2RX4 (0.40) | ALDH1A1CYP3A4TDP1KDM4EMAPT | |
| SCHEMBL8108033 | 0.90 | P2RX4 (0.53) | ALDH1A1CYP3A4TDP1KDM4EMAPT | |
| SCHEMBL17265843 | 0.88 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TDP1KDM4EMAPT | |
| SCHEMBL8365212 | 0.87 | P2RX4 (0.37) | ALDH1A1CYP3A4TDP1KDM4EMAPT | |
| SCHEMBL8584047 | 0.85 | P2RX4 (0.49) | ALDH1A1CYP3A4TDP1KDM4EMAPT | |
| SCHEMBL20707543 | 0.84 | FAAH (0.40) | ALDH1A1CYP3A4TDP1KDM4EMAPT | |
| SCHEMBL20707465 | 0.84 | FAAH (0.40) | ALDH1A1CYP3A4TDP1KDM4EMAPT | |
| SCHEMBL20707457 | 0.84 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TDP1KDM4EMAPT | |
| SCHEMBL20707461 | 0.84 | ALDH1A1 (0.36) | ALDH1A1CYP3A4TDP1KDM4EMAPT | |
| SCHEMBL17943610 | 0.84 | FAAH (0.40) | ALDH1A1CYP3A4TDP1KDM4EMAPT |
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-2022034916-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2022-02-17 | — | — | WO | disclosed |