Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
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 | 0.85 | CA12 (0.43) | ALDH1A1LMNACYP3A4HTTTSHR | |
| Ammonia Solution, Strong SCHEMBL28304171 | 0.79 | CA1 (0.40) | ALDH1A1LMNACYP3A4HTTTSHR | |
| Water SCHEMBL27790537 | 0.79 | CA1 (0.40) | ALDH1A1LMNACYP3A4HTTTSHR | |
| SCHEMBL1286669 | 0.77 | HTT (0.48) | ALDH1A1LMNACYP3A4HTTCA9 | |
| Ethylene SCHEMBL29270239 | 0.76 | CA1 (0.38) | ALDH1A1CYP3A4HTTTSHRCA12 | |
| SCHEMBL21617945 | 0.75 | KDM4E (0.43) | ALDH1A1TNFSF11LMNAHTTTSHR | |
| 1,2-Dimethoxybenzene SCHEMBL28254681 | 0.73 | CA1 (0.65) | ALDH1A1LMNAHTTTSHRCA12 | |
| Acetic Acid Methyl Ester SCHEMBL28750848 | 0.72 | — | — | |
| SCHEMBL10472449 | 0.71 | KDM4E (0.43) | ALDH1A1TNFSF11LMNATSHRKDM4E | |
| SCHEMBL3063642 | 0.71 | ALDH1A1 (0.35) | ALDH1A1CYP3A4HTTCA12CA1 |
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-107880014-A | Synthetic method of 3, 4-dimethoxythiophene | 南京工业大学 | 2018-04-06 | — | — | CN | claimed |