Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MGLL | Q99685 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28201582 | 0.91 | SMN1; SMN2 (0.64) | TDP1EPHX2SMN1; SMN2HTTHSD11B1 | |
| SCHEMBL29944047 | 0.83 | SMN1; SMN2 (0.87) | TDP1EPHX2SMN1; SMN2HTTHPGD | |
| SCHEMBL4387885 | 0.82 | SMN1; SMN2 (0.90) | TDP1SMN1; SMN2HTTHSD11B1HPGD | |
| SCHEMBL31065708 | 0.82 | SMN1; SMN2 (0.90) | TDP1SMN1; SMN2HTTHSD11B1HPGD | |
| SCHEMBL28201049 | 0.80 | POLB (0.58) | EPHX2SMN1; SMN2HPGDALDH1A1EPHX1 | |
| SCHEMBL2134021 | 0.80 | ABL1 (0.53) | TDP1EPHX2SMN1; SMN2HSD11B1HPGD | |
| SCHEMBL7297189 | 0.79 | EPHX1 (0.57) | TDP1EPHX2SMN1; SMN2HTTHSD11B1 | |
| SCHEMBL1721094 | 0.77 | HSD11B1 (0.78) | EPHX2SMN1; SMN2HSD11B1MGLLCYP2C19 | |
| SCHEMBL28201026 | 0.77 | POLB (0.53) | TDP1EPHX2SMN1; SMN2HTTHSD11B1 | |
| SCHEMBL1244906 | 0.76 | SMN1; SMN2 (0.69) | TDP1EPHX2SMN1; SMN2HTTHSD11B1 |
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-107652270-A | 2‑（4 morpholinyls）4,6 disubstituted pyrimidines/s-triazine compound and its salt and application | 西安交通大学 | 2018-02-02 | — | — | CN | disclosed |