Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | DTYMK | P23919 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | PPOX | P50336 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL11444981 | 0.88 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL2687218 | 0.82 | PKM (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL194903 | 0.82 | PKM (0.43) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL8596722 | 0.81 | TSHR (0.60) | ALDH1A1TSHRKMT2AMEN1TDP1 | |
| SCHEMBL12931078 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL3342909 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL4357549 | 0.77 | DTYMK (0.44) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL4246480 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| SCHEMBL8683261 | 0.75 | KEAP1 (0.44) | ALDH1A1TSHRPKMKMT2AMEN1 | |
| SCHEMBL8065086 | 0.75 | TSHR (0.59) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0655997-A1 | PYRIDINIUM INTERMEDIATES AND THE PROCESS FOR PREPARING THE SAME. | ABBOTT LAB (US) | 1995-06-07 | — | — | EP | claimed |
| EP-0655997-A4 | PYRIDINIUM INTERMEDIATES AND THE PROCESS FOR PREPARING THE SAME. | ABBOTT LAB (US) | 1995-02-10 | — | — | EP | claimed |
| US-5294721-A | Reacting a halonitrobenzene and a pyridinium salt | ABBOTT LABORATORIES (US) | 1994-03-15 | — | — | US | claimed |
| WO-1994004502-A1 | PYRIDINIUM INTERMEDIATES AND THE PROCESS FOR PREPARING THE SAME | ABBOTT LABORATORIES (US) | 1994-03-03 | — | — | WO | claimed |
| EP-0655997-B1 | PYRIDINIUM INTERMEDIATES AND THE PROCESS FOR PREPARING THE SAME | ABBOTT LAB (US) | 1997-02-12 | — | — | EP | disclosed |
| EP-0655997-A1 | PYRIDINIUM INTERMEDIATES AND THE PROCESS FOR PREPARING THE SAME. | ABBOTT LAB (US) | 1995-06-07 | — | — | EP | disclosed |
| EP-0655997-A4 | PYRIDINIUM INTERMEDIATES AND THE PROCESS FOR PREPARING THE SAME. | ABBOTT LAB (US) | 1995-02-10 | — | — | EP | disclosed |
| US-5294721-A | Reacting a halonitrobenzene and a pyridinium salt | ABBOTT LABORATORIES (US) | 1994-03-15 | — | — | US | disclosed |
| WO-1994004502-A1 | PYRIDINIUM INTERMEDIATES AND THE PROCESS FOR PREPARING THE SAME | ABBOTT LABORATORIES (US) | 1994-03-03 | — | — | WO | disclosed |