Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | DAO | P14920 | 6/20 | 0.48 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | LIG1 | P18858 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL6617803 | 0.81 | CA12 (0.43) | ALDH1A1HPGDPKMCA12CA1 | |
| SCHEMBL70493 | 0.76 | DAO (0.67) | ALDH1A1HPGDDAOPKMLIG1 | |
| SCHEMBL1303016 | 0.75 | NPSR1 (0.60) | ALDH1A1HPGDDAOPKMLIG1 | |
| SCHEMBL1529979 | 0.74 | DAO (0.54) | ALDH1A1HPGDDAOERN1PKM | |
| SCHEMBL1432436 | 0.74 | ALDH1A1 (0.48) | ALDH1A1HPGDPKMCA12CA1 | |
| Hydrochloric Acid SCHEMBL3074364 | 0.73 | DAO (0.64) | ALDH1A1HPGDDAOPKMLIG1 | |
| SCHEMBL29808747 | 0.73 | DAO (0.64) | ALDH1A1HPGDDAOPKMLIG1 | |
| SCHEMBL28353716 | 0.73 | DAO (0.64) | ALDH1A1HPGDDAOPKMLIG1 | |
| SCHEMBL11598753 | 0.73 | DAO (0.64) | ALDH1A1HPGDDAOPKMLIG1 | |
| SCHEMBL19987844 | 0.73 | DAO (0.64) | ALDH1A1HPGDDAOPKMLIG1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107954976-B | A method of synthesis 3,4- dimethoxy-thiophene | 贝利化学（张家港）有限公司 | 2019-05-31 | — | — | CN | disclosed |
| CN-107954976-A | A kind of method of synthesis 3,4- dimethoxy-thiophenes | 贝利化学（张家港）有限公司 | 2018-04-24 | — | — | CN | disclosed |