Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1706547 | 0.78 | NOS3 (0.39) | ALDH1A1ALOX15TSHR | |
| SCHEMBL19024340 | 0.78 | ADORA2A (0.37) | ALDH1A1ALOX15TSHR | |
| SCHEMBL11333973 | 0.75 | TSHR (0.33) | TSHR | |
| SCHEMBL28418528 | 0.75 | ESR1 (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL27915759 | 0.74 | ALDH1A1 (0.50) | ALDH1A1ALOX15TSHR | |
| SCHEMBL218052 | 0.74 | — | — | |
| SCHEMBL25487217 | 0.70 | — | — | |
| Methyl Alcohol SCHEMBL29141832 | 0.67 | ALDH1A1 (0.41) | ALDH1A1ALOX15TSHR | |
| Formaldehyde SCHEMBL27883709 | 0.67 | ALDH1A1 (0.41) | ALDH1A1ALOX15TSHR | |
| SCHEMBL3605813 | 0.66 | MEN1 (0.35) | — |
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-0458109-B1 | Side chain chlorination of alkylated pyridine or pyrimidine derivatives | BAYER AG (DE) | 1994-07-13 | — | — | EP | disclosed |
| US-5198549-A | SIDE-CHAIN CHLORINATION OF ALKYLATED NITROGEN HETEROAROMATICS | BAYER AKTIENGESELLSCHAFT (DE) | 1993-03-30 | — | — | US | disclosed |
| EP-0458109-A1 | Side chain chlorination of alkylated pyridine or pyrimidine derivatives | BAYER AG (DE) | 1991-11-27 | — | — | EP | disclosed |
| EP-0065479-A2 | Reactive dyestuffs, process for their preparation and their use in dyeing and printing materials containing hydroxyl groups or nitrogen | BAYER AG (DE) | 1982-11-24 | — | — | EP | disclosed |