Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL8722809 | 0.78 | ALDH1A1 (0.40) | LMNAMAPTNPSR1ALDH1A1TSHR | |
| SCHEMBL8459678 | 0.72 | TRPA1 (0.41) | LMNAMAPTCYP1A2CYP2C19HTT | |
| SCHEMBL5085882 | 0.70 | TRPA1 (0.40) | LMNAMAPTCYP1A2HTTALDH1A1 | |
| SCHEMBL13183106 | 0.69 | CYP2A6 (0.48) | LMNAMAPTNPSR1CYP1A2CYP3A4 | |
| SCHEMBL2704056 | 0.69 | ALDH1A1 (0.45) | LMNAMAPTCYP1A2HTTALDH1A1 | |
| SCHEMBL24671100 | 0.68 | USP2 (0.37) | LMNAMAPTNPSR1ALDH1A1TSHR | |
| SCHEMBL12109807 | 0.67 | LMNA (0.38) | LMNAMAPTCYP1A2ALDH1A1L3MBTL1 | |
| SCHEMBL1527080 | 0.67 | TRPA1 (0.57) | MAPTHTTALDH1A1KDM4ETRPA1 | |
| SCHEMBL21338176 | 0.67 | TDP1 (0.55) | LMNAMAPTNPSR1CYP1A2ALDH1A1 | |
| SCHEMBL11774680 | 0.67 | CYP1A2 (0.41) | LMNAMAPTCYP1A2ALDH1A1L3MBTL1 |
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-5840902-A | REACTING PICOLINE WITH ALKYLENE OXIDE IN PRESENCE OF ACID IN WATER OR MIXTURE OF WATER AND POLAR SOLVENT | BAYER AKTIENGESELLSCHAFT (DE) | 1998-11-24 | — | — | US | disclosed |