Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25838590 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL4987729 | 0.71 | — | — | |
| SCHEMBL5923844 | 0.71 | ALDH1A1 (0.66) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL19780637 | 0.69 | NOS3 (0.36) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL15584059 | 0.69 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL1743341 | 0.68 | SMN1; SMN2 (0.42) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL1653786 | 0.67 | — | — | |
| SCHEMBL19416831 | 0.67 | — | — | |
| SCHEMBL20883326 | 0.67 | ALDH1A1 (0.38) | ALDH1A1HPGDCYP3A4SMN1; SMN2KMT2A | |
| SCHEMBL21081346 | 0.67 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023134582-A1 | PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF | 上海立森印迹医药技术有限公司 | 2023-07-20 | — | — | WO | disclosed |