Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9468281 | 0.81 | ALOX15 (0.44) | TSHRMAPTALDH1A1HSD17B10HPGD | |
| SCHEMBL10764198 | 0.80 | TSHR (0.43) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL481458 | 0.79 | MAPT (0.42) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL15303566 | 0.77 | TSHR (0.41) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL27655374 | 0.75 | GRIK1 (0.35) | MAPTCYP3A4ALDH1A1GRIK1GRIK2 | |
| SCHEMBL15641493 | 0.75 | MAPT (0.44) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL8030712 | 0.74 | ALDH1A1 (0.40) | TSHRMAPTCYP3A4ALDH1A1HPGD | |
| SCHEMBL10610114 | 0.73 | CYP3A4 (0.44) | TSHRMAPTCYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL5150546 | 0.73 | MAPT (0.43) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL5716647 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-85104268-A | 1,4-dihydro-2, the preparation of 6-dimethyl-3-(carbalkoxy or alkoxyl group carbalkoxy)-4-(substituted-phenyl)-pyridine-5-carboxylic acid esters | — | 1986-12-03 | — | — | CN | disclosed |