Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | VDR | P11473 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL5270312 | 0.89 | CYP1A2 (0.41) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5267737 | 0.83 | CYP1A2 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL5269340 | 0.80 | SMN1; SMN2 (0.53) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL5272934 | 0.78 | CASR (0.41) | ALDH1A1KDM4ECASRLMNANPC1 | |
| SCHEMBL5268202 | 0.77 | TAAR1 (0.38) | ALDH1A1KDM4ECASRNPC1RAB9A | |
| SCHEMBL3672507 | 0.74 | SMN1; SMN2 (0.59) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7728339 | 0.74 | LMNA (0.45) | ALDH1A1KDM4ECASRLMNANPC1 | |
| SCHEMBL3672505 | 0.74 | SMN1; SMN2 (0.59) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5268491 | 0.73 | CASR (0.42) | ALDH1A1KDM4ECASRLMNANPC1 | |
| SCHEMBL5266302 | 0.73 | CASR (0.51) | ALDH1A1KDM4ECASRLMNAMAPT |
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-6403832-B1 | MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-06-11 | — | — | US | disclosed |