Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28920257 | 0.81 | HPGD (0.44) | KMT2AMEN1GAALMNAHPGD | |
| SCHEMBL28604758 | 0.80 | HTT (0.44) | KMT2AMAPTGAACYP2C19ALDH1A1 | |
| SCHEMBL28605788 | 0.79 | TSHR (0.45) | KMT2AMEN1MAPTCYP1A2ALDH1A1 | |
| SCHEMBL28608951 | 0.77 | ACACB (0.40) | MAPTALDH1A1TSHRLMNA | |
| SCHEMBL28610799 | 0.77 | HTT (0.47) | KMT2AMEN1PKMALDH1A1HTT | |
| SCHEMBL9911541 | 0.74 | KMT2A (0.55) | KMT2AMEN1MAPTGAAPKM | |
| SCHEMBL28609788 | 0.72 | L3MBTL1 (0.44) | KMT2AMEN1CYP1A2 | |
| SCHEMBL28608905 | 0.70 | CTBP2 (0.44) | PKMALDH1A1POLB | |
| SCHEMBL43494 | 0.70 | CYP2C19 (0.57) | KMT2AMEN1MAPTGAAPKM | |
| SCHEMBL6932662 | 0.69 | CYP2C19 (0.61) | KMT2AMEN1MAPTGAAPKM |
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-109942612-B | Diyne enamine compound and preparation method and application thereof | 北京大学深圳研究生院 | 2021-08-20 | — | — | CN | disclosed |