Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.39 |
| ▸ | PNLIP | P16233 | 2/20 | 0.37 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6789232 | 1.00 | IDO1 (0.47) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL13923433 | 1.00 | IDO1 (0.47) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL15886592 | 1.00 | IDO1 (0.47) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL9880750 | 1.00 | IDO1 (0.47) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| 8-Hydroxy-15,16-Bisnor-11-Labden-13-One SCHEMBL20640825 | 0.80 | PTPN2 (0.55) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL13206597 | 0.76 | ALDH1A1 (0.55) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL6787164 | 0.76 | IDO1 (0.41) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL12794155 | 0.76 | ALDH1A1 (0.55) | IDO1ALDH1A1CYP3A4CYP2C9TSHR | |
| SCHEMBL4400746 | 0.76 | PTGS2 (0.38) | IDO1TRPA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL13246091 | 0.75 | ALDH1A1 (0.47) | IDO1ALDH1A1CYP3A4CYP2C9TSHR |
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-100488940-C | Oxalate for preparing ambrox or releasing ambrox in cigarette smoke and its use | CHINA TOBACCO HUNAN IND CO LTD (CN) | 2009-05-20 | — | — | CN | disclosed |
| CN-1583711-A | Oxalate for preparing ambrox or releasing ambrox in cigarette smoke and its use | CHANGSHA CIGARETTE FACTORY (CN) | 2005-02-23 | — | — | CN | disclosed |