Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 3/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL17020095 | 0.77 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2MAOANPC1RAB9A | |
| SCHEMBL3614462 | 0.76 | MAOA (0.59) | ALDH1A1KIF11MAOANPC1RAB9A | |
| SCHEMBL3614466 | 0.76 | MAOA (0.59) | ALDH1A1KIF11MAOANPC1RAB9A | |
| SCHEMBL27537594 | 0.75 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HRH3NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL17009637 | 0.75 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2MAOANPC1RAB9A | |
| SCHEMBL25005827 | 0.74 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HRH3MAOANPC1 | |
| SCHEMBL12061831 | 0.74 | TP53 (0.50) | LMNATYR | |
| SCHEMBL5231783 | 0.74 | TP53 (0.50) | LMNATYR | |
| Ammonia Solution, Strong SCHEMBL7246795 | 0.74 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HRH3MAOANPC1 | |
| SCHEMBL8031520 | 0.72 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2KIF11HRH3MAOA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0740659-B1 | PHENYLTHIO-OXAZOLINE DERIVATIVES | BAYER AG (DE) | 2000-04-05 | — | — | EP | disclosed |
| CN-1138855-A | Phenylthio-oxazoline derivatives | BAYER AG (DE) | 1996-12-25 | — | — | CN | disclosed |
| EP-0740659-A1 | PHENYLTHIO-OXAZOLINE DERIVATIVES | BAYER AG (DE) | 1996-11-06 | — | — | EP | disclosed |
| WO-1995019348-A1 | PHENYLTHIO-OXAZOLINE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1995-07-20 | — | — | WO | disclosed |