Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL7930008 | 0.94 | ACHE (0.79) | ACHELMNATSHRALOX12ALDH1A1 | |
| Biphenyl SCHEMBL28828599 | 0.94 | ACHE (0.79) | ACHELMNATSHRALOX12ALDH1A1 | |
| Biphenyl SCHEMBL27832408 | 0.90 | ACHE (0.73) | ACHELMNATSHRALOX12ALDH1A1 | |
| Biphenyl SCHEMBL27777225 | 0.90 | ACHE (0.73) | ACHELMNATSHRALOX12ALDH1A1 | |
| Tannin Pyrogallol SCHEMBL28563583 | 0.90 | LMNA (0.73) | ACHELMNATSHRALOX12ALDH1A1 | |
| Biphenyl SCHEMBL10908072 | 0.90 | ACHE (0.73) | ACHELMNATSHRALOX12ALDH1A1 | |
| Biphenyl SCHEMBL10906998 | 0.90 | ACHE (0.73) | ACHELMNATSHRALOX12ALDH1A1 | |
| Biphenyl SCHEMBL27663822 | 0.90 | ACHE (0.73) | ACHELMNATSHRALOX12ALDH1A1 | |
| Toluene SCHEMBL2508427 | 0.90 | — | — | |
| Toluene SCHEMBL27666116 | 0.90 | ACHE (0.85) | ACHELMNATSHRALOX12TDP1 |
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-103380137-B | The nitrogen-containing heterocycle compound of a kind of N ortho position acyl substituted and contracting amine thereof close the preparation method of iron (II) title complex | CHINA PETROLEUM & CHEMICAL CORP. (CN) | 2016-02-10 | — | — | CN | disclosed |