Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | USP5 | P45974 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29723918 | 0.76 | LMNA (0.48) | CNR1CNR2CYP2D6ALDH1A1LMNA | |
| SCHEMBL10247238 | 0.76 | ALDH1A1 (0.46) | HTTALDH1A1SMN1; SMN2MEN1LMNA | |
| SCHEMBL27396530 | 0.75 | HTT (0.45) | HTTCYP2C9PTPN5CNR1CNR2 | |
| SCHEMBL13384248 | 0.75 | MLYCD (0.59) | HTTCYP2C9USP5CYP2D6HIF1A | |
| SCHEMBL16665582 | 0.73 | PLOD2 (0.45) | NPC1RAB9AMITF | |
| SCHEMBL12545975 | 0.73 | HTT (0.52) | HTTCYP2C9CNR1CNR2USP5 | |
| SCHEMBL26325162 | 0.72 | HDAC6 (0.31) | — | |
| SCHEMBL4516554 | 0.71 | CES2 (0.42) | HTTLMNAMAPT | |
| SCHEMBL28331909 | 0.71 | CES2 (0.54) | CNR2ALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL1505347 | 0.71 | HTT (0.61) | HTTALDH1A1LMNAHPGD |
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-110437230-B | Tertiary amine compound, diphosphine ligand, intermediate and preparation method thereof | 中国科学院上海有机化学研究所 | 2022-06-21 | — | — | CN | disclosed |