Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.62 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.62 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.41 |
| ▸ | KLK1 | P06870 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | CFD | P00746 | 2/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27968335 | 0.89 | CYP2E1 (0.62) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL5972875 | 0.87 | CYP2A6 (0.62) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL27634496 | 0.82 | KLK1 (0.43) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL27968345 | 0.81 | CYP3A4 (0.49) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL27968341 | 0.81 | HSD17B1 (0.51) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL2690207 | 0.77 | CYP2E1 (1.00) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| Hydrochloric Acid SCHEMBL31558446 | 0.76 | CYP2A6 (0.96) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL25155424 | 0.76 | PRMT6 (0.57) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL4316965 | 0.76 | APP (0.53) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL1692333 | 0.76 | SMN1; SMN2 (0.49) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103214471-B | The preparation method of compound with Na-dependent glucose transporter inhibitory activity | 田边三菱制药株式会社 | 2018-02-06 | — | — | CN | disclosed |
| CN-104109155-A | Novel compounds | TANABE SEIYAKU CO | 2014-10-22 | — | — | CN | disclosed |
| CN-103819465-A | Novel compound | MITSUBISHI TANABE PHARMA CORP | 2014-05-28 | — | — | CN | disclosed |