Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18155288 | 0.94 | TSHR (0.52) | TSHRLMNAALDH1A1RECQLCNR1 | |
| SCHEMBL15159952 | 0.86 | TSHR (0.48) | TSHRLMNAALDH1A1RECQLCNR1 | |
| SCHEMBL28642072 | 0.82 | CYP1A2 (0.47) | TSHRALDH1A1KMT2AMEN1 | |
| SCHEMBL20691171 | 0.78 | POLB (0.44) | TSHRLMNAALDH1A1CA12CA14 | |
| SCHEMBL1909002 | 0.78 | TSHR (0.61) | TSHRLMNAALDH1A1RECQLCNR1 | |
| Ethylene SCHEMBL29250348 | 0.77 | TSHR (0.54) | TSHRLMNAALDH1A1RECQLCNR1 | |
| SCHEMBL5503646 | 0.76 | CYP1A2 (0.48) | TSHRALDH1A1L3MBTL1KMT2AMEN1 | |
| SCHEMBL24383921 | 0.76 | TSHR (0.58) | TSHRLMNAALDH1A1RECQLCNR1 | |
| SCHEMBL10611084 | 0.76 | TSHR (0.58) | TSHRLMNAALDH1A1RECQLCNR1 | |
| SCHEMBL2254876 | 0.76 | TSHR (0.58) | TSHRLMNAALDH1A1RECQLCNR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116143658-A | Method for simultaneously preparing tripropylacetonitrile, tripropylamide and tripropylacetic acid | 上海青平药业有限公司 | 2023-05-23 | — | — | CN | claimed |
| CN-116143658-A | Method for simultaneously preparing tripropylacetonitrile, tripropylamide and tripropylacetic acid | 上海青平药业有限公司 | 2023-05-23 | — | — | CN | disclosed |
| CN-113200848-A | Novel preparation method of valproic acid | 上海青平药业有限公司 | 2021-08-03 | — | — | CN | disclosed |
| CN-113200844-A | Preparation method of sodium valproate | 上海青平药业有限公司 | 2021-08-03 | — | — | CN | disclosed |
| CN-113173845-A | Method for preparing valproic acid | 上海青平药业有限公司 | 2021-07-27 | — | — | CN | disclosed |
| CN-113149823-A | 2-R1Preparation method of valeric acid | 上海青平药业有限公司 | 2021-07-23 | — | — | CN | disclosed |