Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | SCN4A | P35499 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL51793 | 0.94 | — | — | |
| SCHEMBL708271 | 0.94 | — | — | |
| SCHEMBL118100 | 0.94 | — | — | |
| SCHEMBL2237837 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| Water SCHEMBL16400402 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| Methane SCHEMBL28919172 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| Ammonia Solution, Strong SCHEMBL16464378 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL190501 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL51792 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL1223341 | 0.92 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP1A2CYP2C19TSHR |
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-106472745-A | A kind of Millettia Speciosa health functional beverage | 孔令娇 | 2017-03-08 | — | — | CN | disclosed |