Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 7/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | GRM6 | O15303 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL15733367 | 0.92 | CYP2D6 (0.67) | ALDH1A1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL27519835 | 0.91 | ALDH1A1 (0.66) | ALDH1A1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL14645882 | 0.89 | TSHR (0.67) | ALDH1A1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL5808886 | 0.88 | ALDH1A1 (0.64) | ALDH1A1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28280218 | 0.88 | ALDH1A1 (0.68) | ALDH1A1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28280186 | 0.88 | ALDH1A1 (0.68) | ALDH1A1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28077184 | 0.88 | ALDH1A1 (0.68) | ALDH1A1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28281254 | 0.88 | ALDH1A1 (0.68) | ALDH1A1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL14645636 | 0.88 | ALDH1A1 (0.68) | ALDH1A1CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL15733096 | 0.87 | CYP2D6 (0.59) | ALDH1A1CYP2D6CYP19A1CYP2C9CYP2C19 |
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-109415553-A | The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin | 马萨诸塞大学 | 2019-03-01 | — | — | CN | claimed |
| CN-109415553-A | The thermosetting resin of plasticising and related solidified resin, curing method and the product comprising solidified resin | 马萨诸塞大学 | 2019-03-01 | — | — | CN | disclosed |
| WO-2018054721-A1 | PYRIDINE COMPOUNDS FOR CONTROLLING PHYTOPATHOGENIC HARMFUL FUNGI | BASF SE (DE) | 2018-03-29 | — | — | WO | disclosed |