Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.45 |
| ▸ | MAPT | P10636 | 8/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.45 |
| ▸ | MPI | P34949 | 5/20 | 0.45 |
| ▸ | XBP1 | P17861 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL11877573 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTNPSR1MPIXBP1 | |
| SCHEMBL10690339 | 0.81 | ALDH1A1 (0.50) | ALDH1A1MAPTNPSR1MPIXBP1 | |
| SCHEMBL28111471 | 0.79 | ALDH1A1 (0.49) | ALDH1A1MAPTNPSR1MPIXBP1 | |
| Cyanide SCHEMBL31126058 | 0.77 | ALDH1A1 (0.47) | ALDH1A1MAPTNPSR1MPIXBP1 | |
| SCHEMBL10815691 | 0.74 | MAPT (0.50) | ALDH1A1MAPTNPSR1MPIXBP1 | |
| SCHEMBL212493 | 0.72 | ALDH1A1 (0.47) | ALDH1A1MAPTNPSR1MPIXBP1 | |
| SCHEMBL11774520 | 0.72 | KDM4E (0.44) | ALDH1A1MAPTNPSR1MPIXBP1 | |
| SCHEMBL3279887 | 0.72 | TDP1 (0.51) | ALDH1A1MAPTNPSR1MPIXBP1 | |
| SCHEMBL3280620 | 0.72 | TDP1 (0.40) | ALDH1A1MAPTNPSR1MPIXBP1 | |
| SCHEMBL3280618 | 0.72 | TDP1 (0.40) | ALDH1A1MAPTNPSR1MPIXBP1 |
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-108623498-A | A kind of 1- ethyls -3-（3- dimethylaminopropyls）The synthetic method of carbodiimides fragrant sulfonate | 浙江普康化工有限公司 | 2018-10-09 | — | — | CN | disclosed |