Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PSEN1 | P49768 | 12/20 | 0.49 |
| ▸ | PSEN2 | P49810 | 12/20 | 0.49 |
| ▸ | APH1B | Q8WW43 | 12/20 | 0.49 |
| ▸ | NCSTN | Q92542 | 12/20 | 0.49 |
| ▸ | APH1A | Q96BI3 | 12/20 | 0.49 |
| ▸ | PSENEN | Q9NZ42 | 12/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | GSAP | A4D1B5 | 1/20 | 0.47 |
| ▸ | THRA | P10827 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18642504 | 1.00 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19PSEN1 | |
| SCHEMBL14886930 | 0.90 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19PSEN1 | |
| SCHEMBL5967494 | 0.90 | ALDH1A1 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19PSEN1 | |
| SCHEMBL2979967 | 0.88 | CNR2 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19PSEN1 | |
| SCHEMBL23476580 | 0.86 | PSEN1 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19PSEN1 | |
| SCHEMBL14876684 | 0.86 | PSEN1 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19PSEN1 | |
| SCHEMBL1360317 | 0.86 | PSEN1 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19PSEN1 | |
| SCHEMBL1360313 | 0.86 | PSEN1 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19PSEN1 | |
| SCHEMBL5966991 | 0.83 | PSEN1 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19PSEN1 | |
| SCHEMBL5966997 | 0.83 | TSHR (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19PSEN1 |
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-107429235-A | NSC culture medium containing chelated iron | 味之素株式会社 | 2017-12-01 | — | — | CN | disclosed |