Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | FGF1 | P05230 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28467532 | 0.87 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRKMT2AMEN1 | |
| SCHEMBL9734100 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRHPRT1CASP6 | |
| SCHEMBL8973579 | 0.84 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRKMT2AMEN1 | |
| SCHEMBL14058836 | 0.84 | CA2 (0.58) | ALDH1A1TDP1TSHRPOLBVCAM1 | |
| SCHEMBL28470101 | 0.83 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRKMT2AMEN1 | |
| SCHEMBL9735773 | 0.77 | ALDH1A1 (0.69) | ALDH1A1TDP1TSHRKMT2AMEN1 | |
| SCHEMBL29694503 | 0.76 | TDP1 (0.57) | ALDH1A1TDP1TSHRKMT2AMEN1 | |
| SCHEMBL8668528 | 0.76 | TSHR (0.66) | ALDH1A1TDP1TSHRKMT2AMEN1 | |
| SCHEMBL9734521 | 0.75 | ALDH1A1 (0.67) | ALDH1A1TDP1TSHRKMT2AMEN1 | |
| SCHEMBL7835608 | 0.75 | ALDH1A1 (0.61) | ALDH1A1TDP1TSHRKMT2AMEN1 |
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-111848459-A | Clean and efficient preparation method of 1,6 and 1, 7-clevuric acid | 中国天辰工程有限公司 | 2020-10-30 | — | — | CN | disclosed |