Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8415135 | 0.82 | NR3C1 (0.41) | ALDH1A1HRH4NR3C1CYP1A2CYP3A4 | |
| SCHEMBL8840394 | 0.80 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4NPSR1KDM4E | |
| SCHEMBL8840549 | 0.79 | ALDH1A1 (0.37) | ALDH1A1KDM4ELMNAPOLBHTT | |
| SCHEMBL8709436 | 0.78 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4NPSR1KDM4E | |
| SCHEMBL8840551 | 0.73 | CYP1A2 (0.37) | ALDH1A1CYP1A2CYP3A4NPSR1KDM4E | |
| SCHEMBL8840605 | 0.72 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4NPSR1KDM4E | |
| SCHEMBL8840523 | 0.72 | CYP1A2 (0.36) | ALDH1A1CYP1A2CYP3A4NPSR1KDM4E | |
| SCHEMBL8840381 | 0.72 | OPRM1 (0.34) | PRMT5 | |
| SCHEMBL8840398 | 0.71 | HTR1A (0.35) | ALDH1A1NR3C1NPSR1KDM4ELMNA | |
| SCHEMBL8840494 | 0.71 | KMT2A (0.34) | ALDH1A1PRMT5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5650417-A | Substituted pyridines, their preparation, and their use as pesticides and fungicides | HOECHST SCHERING AGREVO GMBH (DE) | 1997-07-22 | — | — | US | disclosed |
| EP-0719255-A1 | SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1996-07-03 | — | — | EP | disclosed |
| WO-1995007890-A1 | SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1995-03-23 | — | — | WO | disclosed |