Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28251456 | 0.80 | CA2 (0.51) | DHFRHTTCA2LMNASMN1; SMN2 | |
| SCHEMBL11757871 | 0.71 | DHFR (0.58) | DHFRHTTCA2ALDH1A1HPGD | |
| SCHEMBL10997812 | 0.70 | DHFR (0.53) | DHFRHTTCA2LMNASMN1; SMN2 | |
| SCHEMBL2095593 | 0.70 | CA2 (1.00) | CA2LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11567021 | 0.69 | DHFR (0.67) | DHFRHTTCA2ALDH1A1HPGD | |
| SCHEMBL3825183 | 0.69 | CA2 (0.51) | DHFRHTTCA2LMNASMN1; SMN2 | |
| SCHEMBL5356890 | 0.69 | DHFR (0.70) | DHFRHTTCA2 | |
| SCHEMBL11831045 | 0.69 | DHFR (0.58) | DHFRHTTCA2ALDH1A1HPGD | |
| SCHEMBL2451919 | 0.69 | CA1 (0.46) | DHFRCA2RECQLLMNACYP1A2 | |
| SCHEMBL17303151 | 0.68 | LMNA (0.53) | DHFRHTTCA2LMNASMN1; SMN2 |
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-105732528-A | Preparation method of 2-arylamine-4-dimethylamine-1, 3, 5-triazine compound | 浙江工业大学 | 2016-07-06 | — | — | CN | disclosed |