Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.39 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL4427648 | 0.79 | ALDH1A1 (0.71) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL2314823 | 0.76 | TSHR (0.49) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL11520840 | 0.76 | TSHR (0.49) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL28762573 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRCYP3A4PDE2A | |
| SCHEMBL11520845 | 0.74 | TSHR (0.47) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL1755097 | 0.74 | TSHR (0.46) | ALDH1A1TDP1TSHRCYP3A4PDE2A | |
| SCHEMBL17263930 | 0.73 | TSHR (0.64) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL3192684 | 0.73 | ALDH1A1 (0.62) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL3929623 | 0.72 | TSHR (0.49) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL10515286 | 0.72 | CA12 (0.45) | ALDH1A1TDP1TSHRCYP3A4SMN1; SMN2 |
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-103787934-A | Preparation method of 2-nitro-4-methylsulphonylbenzoic acid | SINOCHEM AGRO CO LTD | 2014-05-14 | — | — | CN | disclosed |