Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8799620 | 0.78 | TSHR (0.40) | ALDH1A1TSHRL3MBTL1KMT2ALMNA | |
| SCHEMBL10482434 | 0.77 | CYP19A1 (0.41) | ALDH1A1MAPTKMT2APOLBLMNA | |
| SCHEMBL1790141 | 0.77 | ESR1 (0.72) | ALDH1A1TSHRESR1HIF1ANPC1 | |
| SCHEMBL15024701 | 0.75 | S1PR2 (0.44) | ALDH1A1TSHRNPC1RAB9AHSP90AA1 | |
| SCHEMBL13296182 | 0.74 | ALDH1A1 (0.55) | ALDH1A1TSHRESR1HIF1ANPC1 | |
| SCHEMBL15294616 | 0.74 | ALDH1A1 (0.58) | ALDH1A1TSHRESR1HIF1ANPC1 | |
| SCHEMBL111718 | 0.72 | TSHR (0.60) | ALDH1A1TSHRESR1HIF1ANPC1 | |
| SCHEMBL11961051 | 0.72 | ALDH1A1 (0.53) | ALDH1A1TSHRESR1HIF1ANPC1 | |
| SCHEMBL18959912 | 0.71 | ALDH1A1 (0.59) | ALDH1A1TSHRESR1HIF1ANPC1 | |
| SCHEMBL10642349 | 0.71 | ALDH1A1 (0.55) | ALDH1A1TSHRESR1HIF1ANPC1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0599902-B1 | 5-(3-Isoxazolyl)pyridin-3-carboxylic acid derivatives useful as herbicides | ROHM & HAAS (US) | 1997-04-16 | — | — | EP | disclosed |
| EP-0354202-B1 | 2,6-Substituted 1,2- or 1,6-dihydropyridine compounds | MONSANTO CO (US) | 1994-09-14 | — | — | EP | disclosed |
| EP-0278945-B1 | Substituted 2,6-substituted pyridine compounds | MONSANTO CO (US) | 1994-01-26 | — | — | EP | disclosed |
| EP-0278944-B1 | SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS | Monsanto Company (US) | 1992-09-30 | — | — | EP | disclosed |
| EP-0252055-B1 | SUBSTITUTED PYRIDINE HERBICIDES | Monsanto Company (US) | 1992-01-22 | — | — | EP | disclosed |
| EP-0354202-A2 | 2,6-Substituted 1,2- or 1,6-dihydropyridine compounds | MONSANTO COMPANY (US) | 1990-02-07 | — | — | EP | disclosed |
| EP-0245230-A1 | Substituted 2,6-substituted pyridine compounds | Monsanto Company (US) | 1987-11-11 | — | — | EP | disclosed |