Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Acridine SCHEMBL28144160 | 0.91 | ALDH1A1 (0.46) | IDO1CYP3A4METAP2HPGDSCYP11B1 | |
| SCHEMBL7854 | 0.87 | — | — | |
| SCHEMBL20772034 | 0.85 | CYP3A4 (0.42) | IDO1CYP3A4HPGDSCYP11B1CYP11B2 | |
| Ammonia Solution, Strong SCHEMBL27003885 | 0.85 | CYP3A4 (0.42) | IDO1CYP3A4HPGDSCYP11B1CYP11B2 | |
| Pyridine SCHEMBL15874650 | 0.82 | CYP3A4 (0.46) | IDO1CYP3A4HPGDSCYP2E1CYP2D6 | |
| Bicarbonate SCHEMBL28123369 | 0.79 | KDM4C (0.41) | IDO1CYP3A4HPGDSCYP2E1CYP2D6 | |
| Azetidine SCHEMBL27493637 | 0.79 | HRH3 (0.39) | IDO1CYP3A4HPGDSCYP2E1CYP2D6 | |
| Indazole SCHEMBL15640183 | 0.79 | CDK2 (0.54) | IDO1CYP3A4METAP2HPGDSCYP11B1 | |
| Phosphoric Acid SCHEMBL1880808 | 0.77 | IDO1 (0.37) | IDO1CYP3A4HPGDSCYP2E1CYP2D6 | |
| Sulfamide SCHEMBL27407275 | 0.77 | ASIC3 (0.38) | IDO1CYP3A4HPGDSCYP2E1CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107176955-B | A kind of Ba Rui replaces the preparation method of Buddhist nun | 南京优科制药有限公司 | 2019-04-09 | — | — | CN | disclosed |
| CN-109553589-A | A kind of synthetic method preparing natural products Kanamienamide and its derivative | 重庆大学 | 2019-04-02 | — | — | CN | disclosed |
| CN-109476669-A | Lim kinase inhibitor | 富荣吉有限责任公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-109422749-A | A kind of pyrimidinedione derivative inhibiting monocarboxylate transporter | 重庆医药工业研究院有限责任公司 | 2019-03-05 | — | — | CN | disclosed |