Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8571323 | 0.86 | ALDH1A1 (0.39) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10440278 | 0.85 | ALDH1A1 (0.41) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7665299 | 0.79 | LMNA (0.48) | ALDH1A1MAPTKMT2ACHRNB2CHRNA4 | |
| SCHEMBL9777085 | 0.79 | CHRNB2 (0.41) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13068904 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13872466 | 0.79 | ALDH1A1 (0.39) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7106155 | 0.78 | CHRNB2 (0.39) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5001742 | 0.78 | CHRNB2 (0.39) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7672435 | 0.76 | CHRNB2 (0.41) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7753165 | 0.76 | CHRNB2 (0.41) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5849768-A | α-unsaturated amines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-15 | — | — | US | disclosed |