Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28360449 | 0.85 | MIF (0.55) | MIFKMT2AMEN1GRIN2DGRIN3B | |
| SCHEMBL11963957 | 0.83 | PLA2G7 (0.59) | MIFKMT2AMEN1PLA2G7 | |
| SCHEMBL28216697 | 0.83 | PLA2G7 (0.59) | MIFKMT2AMEN1PLA2G7 | |
| SCHEMBL13078402 | 0.82 | MIF (0.52) | MIFMAPTALDH1A1GAAPLA2G7 | |
| SCHEMBL13044360 | 0.82 | KMT2A (0.53) | MIFKMT2AMEN1GRIN2DGRIN3B | |
| SCHEMBL11406474 | 0.81 | MIF (0.49) | MIFKMT2AMEN1GRIN2DGRIN3B | |
| SCHEMBL10824041 | 0.80 | PTGS2 (0.58) | MIFKMT2AMEN1CYP1A2MAPT | |
| SCHEMBL29033179 | 0.76 | MIF (0.47) | MIFKMT2AMEN1MAPTPTGS2 | |
| SCHEMBL28363850 | 0.74 | ALDH1A1 (0.57) | KMT2AMEN1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL27374346 | 0.74 | TDP1 (0.55) | MAPTPOLBALDH1A1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110669046-B | Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative | 武汉大学 | 2021-07-06 | — | — | CN | disclosed |
| CN-110669046-A | Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative | 武汉大学 | 2020-01-10 | — | — | CN | disclosed |