Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL28363850 | 0.83 | ALDH1A1 (0.57) | ALDH1A1HPGDLMNASMN1; SMN2MEN1 | |
| SCHEMBL13044358 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDLMNAHTTL3MBTL1 | |
| SCHEMBL28401229 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDLMNAHTTL3MBTL1 | |
| SCHEMBL14070732 | 0.79 | ALDH1A1 (0.43) | ALDH1A1HPGDLMNAHTTL3MBTL1 | |
| SCHEMBL13402945 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HPGDLMNAHTTL3MBTL1 | |
| SCHEMBL11963957 | 0.78 | PLA2G7 (0.59) | MEN1KMT2ANPC1RAB9AMIF | |
| SCHEMBL28216697 | 0.78 | PLA2G7 (0.59) | MEN1KMT2ANPC1RAB9AMIF | |
| SCHEMBL10889083 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HPGDLMNAHTTL3MBTL1 | |
| SCHEMBL28674223 | 0.75 | KMT2A (0.48) | ALDH1A1HPGDLMNAHTTL3MBTL1 | |
| SCHEMBL12764020 | 0.74 | SMN1; SMN2 (0.48) | ALDH1A1HPGDLMNAHTTL3MBTL1 |
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 |