Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MPI | P34949 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.30 |
| ▸ | TYR | P14679 | 2/20 | 0.30 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.30 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19123886 | 0.80 | ERN1 (0.38) | ALDH1A1TSHRERN1TYRTRIM24 | |
| SCHEMBL27970750 | 0.79 | ALDH1A1 (0.34) | ALDH1A1TSHRHTTCYP1A2CYP3A4 | |
| SCHEMBL7180797 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TSHRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7648217 | 0.78 | ALDH1A1 (0.38) | ALDH1A1TSHRHTTCYP1A2GAA | |
| SCHEMBL27724272 | 0.75 | KCNJ1 (0.32) | ALDH1A1TSHRHTTKCNJ1 | |
| SCHEMBL23111954 | 0.74 | — | — | |
| SCHEMBL23111955 | 0.73 | THRB (0.40) | ALDH1A1TSHRHTTCYP3A4CYP2D6 | |
| SCHEMBL9513228 | 0.72 | CDK1 (0.30) | MEN1KMT2A | |
| SCHEMBL22492158 | 0.71 | LMNA (0.35) | ALDH1A1TSHRHTTCYP2D6CYP2C19 | |
| SCHEMBL8812744 | 0.71 | ALDH1A1 (0.34) | ALDH1A1TSHRHTTCYP3A4GAA |
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-104558005-B | Method for microwave synthesis of second-order nonlinear optical chromophore with D-pi-A structure | 中国科学院理化技术研究所 | 2018-03-09 | — | — | CN | disclosed |