Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30903251 | 0.72 | TDP1 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL8734663 | 0.71 | TGFBR1 (0.41) | ALDH1A1 | |
| SCHEMBL9134755 | 0.71 | TSHR (0.50) | ALDH1A1TDP1 | |
| SCHEMBL27349597 | 0.70 | — | — | |
| SCHEMBL4850022 | 0.70 | CYP3A4 (0.44) | ALDH1A1POLBNPC1DPP4 | |
| SCHEMBL12207195 | 0.68 | DPP4 (0.35) | ALDH1A1POLBNPC1DPP4 | |
| SCHEMBL7526611 | 0.67 | CA2 (0.45) | ALDH1A1NPC1DPP4 | |
| SCHEMBL27924591 | 0.67 | CA2 (0.45) | ALDH1A1NPC1DPP4 | |
| SCHEMBL3790653 | 0.67 | CA2 (0.45) | ALDH1A1NPC1DPP4 | |
| SCHEMBL186588 | 0.65 | CHRNB2 (0.35) | CHRNB2CHRNB4CHRNA3CHRNA4TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5133779-A | Cationic reaction products of basic carbamides and epihalohydrins: quaternary ammonium salts as dyeing aids for cellulose | CIBA-GEIGY CORPORATION (US) | 1992-07-28 | — | — | US | disclosed |
| US-5081294-A | Quaternary ammonium salts to enhance color yield and wetfastness of dyeings/printings of cellulose fibers by an anionic dye (reactive or direct) | CIBA-GEIGY CORPORATION (US) | 1992-01-14 | — | — | US | disclosed |