Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22982975 | 0.84 | ALDH1A1 (0.45) | ALDH1A1HTTNPC1CYP3A4CYP2D6 | |
| SCHEMBL4434030 | 0.83 | ALDH1A1 (0.43) | ALDH1A1HTTNPC1POLBRAB9A | |
| SCHEMBL8574641 | 0.82 | PDK1 (0.43) | ALDH1A1NPC1SMN1; SMN2HPGDPOLB | |
| SCHEMBL8719595 | 0.81 | LMNA (0.45) | ALDH1A1HTTNPC1CYP3A4CYP2D6 | |
| SCHEMBL8574640 | 0.81 | LMNA (0.45) | ALDH1A1HTTNPC1CYP3A4CYP2D6 | |
| SCHEMBL8577553 | 0.81 | LMNA (0.45) | ALDH1A1HTTNPC1CYP3A4CYP2D6 | |
| SCHEMBL4515076 | 0.81 | ALDH1A1 (0.42) | ALDH1A1HTTNPC1CYP3A4CYP2D6 | |
| SCHEMBL4515074 | 0.81 | ALDH1A1 (0.42) | ALDH1A1HTTNPC1CYP3A4CYP2D6 | |
| SCHEMBL5233789 | 0.80 | POLB (0.40) | ALDH1A1NPC1GAAPOLBRAB9A | |
| SCHEMBL27445707 | 0.77 | ALDH1A1 (0.34) | ALDH1A1HPGDGAATSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0928793-B1 | Thiazole derivatives | HOFFMANN LA ROCHE (CH) | 2002-05-15 | — | — | EP | disclosed |
| US-6001855-A | REACTING A THIAZOLE DERIVATIVE AND A CYCLIC AMINE DERIVATIVE; INHIBITS BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES OF CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS | HOFFMAN-LA ROCHE INC. (US) | 1999-12-14 | — | — | US | disclosed |
| EP-0928793-A1 | Thiazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1999-07-14 | — | — | EP | disclosed |