Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27960158 | 0.81 | HTT (0.49) | SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL27164207 | 0.77 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27960152 | 0.76 | LTB4R (0.40) | ALDH1A1HTR2CADORA2ATAAR1 | |
| SCHEMBL27960154 | 0.73 | HSP90AB1 (0.40) | SMN1; SMN2MAPTHTR2CHTR2BENPP1 | |
| SCHEMBL13562419 | 0.73 | CYP1A2 (0.46) | SMN1; SMN2ALDH1A1HTR2CHTR2BADORA2A | |
| SCHEMBL13562462 | 0.72 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1MAPTHTR2CHTR2B | |
| SCHEMBL21548943 | 0.71 | SMN1; SMN2 (0.55) | SMN1; SMN2ALDH1A1MAPTENPP1AR | |
| SCHEMBL18762206 | 0.69 | HTR2C (0.48) | SMN1; SMN2ALDH1A1HTR2CHTR2BTAAR1 | |
| SCHEMBL21548843 | 0.69 | SMN1; SMN2 (0.60) | SMN1; SMN2ALDH1A1MAPTENPP1ADORA2A | |
| SCHEMBL30784811 | 0.69 | HTT (0.34) | SMN1; SMN2ALDH1A1KMT2A |
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-102675229-B | Preparation method for 2,5-dimethylpyrazine derivative | UNIV TSINGHUA | 2014-04-16 | — | — | CN | disclosed |