Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL24131085 | 0.85 | CYP1A2 (0.46) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL912444 | 0.85 | CHEK2 (0.59) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL2328573 | 0.85 | KDM4E (0.53) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL17512466 | 0.85 | CYP1A2 (0.46) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL13285403 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL29859779 | 0.83 | TSHR (0.47) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL6559030 | 0.83 | TSHR (0.47) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL16702899 | 0.83 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL1313406 | 0.83 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL6559833 | 0.82 | TSHR (0.46) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E |
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 |