Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | GALR2 | O43603 | 1/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
| ▸ | CCR6 | P51684 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8659593 | 0.80 | TSHR (0.46) | NPC1MAPTPOLBLMNAALDH1A1 | |
| SCHEMBL7723906 | 0.76 | SMN1; SMN2 (0.68) | SMN1; SMN2NPC1MAPTARALDH1A1 | |
| SCHEMBL7116626 | 0.75 | SMN1; SMN2 (0.64) | SMN1; SMN2NPC1MAPTALDH1A1HPGD | |
| SCHEMBL11514229 | 0.75 | AKR1B1 (0.63) | SMN1; SMN2NPC1MAPTPOLBLMNA | |
| SCHEMBL550516 | 0.75 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1MAPTARALDH1A1 | |
| SCHEMBL4253497 | 0.74 | MRGPRX4 (0.41) | SMN1; SMN2NPC1MAPTALDH1A1HSP90AA1 | |
| SCHEMBL7017758 | 0.74 | ALDH1A1 (0.51) | SMN1; SMN2NPC1MAPTPOLBLMNA | |
| SCHEMBL14114749 | 0.74 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1MAPTPOLBAR | |
| SCHEMBL2616927 | 0.74 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1MAPTPOLBALDH1A1 | |
| SCHEMBL396778 | 0.74 | NPC1 (0.54) | SMN1; SMN2NPC1MAPTPOLBLMNA |
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-5959116-A | 5-NITRO PYRIDINE-2,3-DICARBOXYLIC ACID ESTER CHEMICAL INTERMEDIATES MADE BY REACTING THE N-OXIDES OF PYRIDINE-2,3-DICARBOXYLIC ACID ESTERS WITH NITRIC ACID OR SODIUM NITRATE, THEN REMOVING THE N-OXIDE GROUP | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-28 | — | — | US | disclosed |
| US-5571774-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1996-11-05 | — | — | US | disclosed |