Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 4/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31054426 | 1.00 | CHRNA7 (0.53) | CHRNA7CHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL27686945 | 0.96 | KDM4E (0.56) | CHRNA7CHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL8911540 | 0.94 | KDM4E (0.54) | CHRNA7CHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL24933229 | 0.92 | CHRNB2 (0.56) | CHRNA7CHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL38663623 | 0.84 | GBA1 (0.62) | CHRNA7CHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL13503878 | 0.84 | CHRNA7 (0.49) | CHRNA7CHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL2279484 | 0.84 | GBA1 (0.62) | CHRNA7CHRNB2CHRNA4KDM4EALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL5378833 | 0.82 | CHRNA7 (0.48) | CHRNA7CHRNB2CHRNA4KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL18280120 | 0.82 | GBA1 (0.61) | CHRNA7CHRNB2CHRNA4KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL3301662 | 0.82 | GBA1 (0.61) | CHRNA7CHRNB2CHRNA4KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0532693-A1 | 1,4-DIAMINO-2,3-DIHYDROXYBUTANES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-24 | — | — | EP | disclosed |