Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11590991 | 0.90 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL1877894 | 0.86 | MAOB (0.56) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL14196500 | 0.86 | MAOB (0.56) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL2024202 | 0.86 | MAOB (0.56) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL30379657 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL28766448 | 0.81 | NFE2L2 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL28482343 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL28484558 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL28486791 | 0.81 | KMT2A (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 | |
| SCHEMBL11591435 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C19MEN1 |
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-114560888-A | Preparation method of alpha, beta-unsaturated phosphonamide compound | 北京化工大学 | 2022-05-31 | — | — | CN | disclosed |