Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 3/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3632143 | 0.83 | USP2 (0.48) | SLC6A2SLC6A4SLC6A3USP2GAA | |
| SCHEMBL9717426 | 0.80 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3USP2GAA | |
| SCHEMBL22418878 | 0.78 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3USP2GAA | |
| SCHEMBL15253052 | 0.76 | MAOA (0.51) | SLC6A2SLC6A4SLC6A3USP2GAA | |
| SCHEMBL8531102 | 0.76 | NPC1 (0.43) | SLC6A2SLC6A4SLC6A3USP2GAA | |
| SCHEMBL1122014 | 0.75 | F2 (0.46) | SLC6A2SLC6A4SLC6A3USP2GAA | |
| SCHEMBL6166853 | 0.75 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3USP2GAA | |
| SCHEMBL9967028 | 0.74 | USP2 (0.55) | SLC6A2SLC6A4SLC6A3USP2GAA | |
| SCHEMBL4362240 | 0.74 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CTNNB1WNT3A | |
| SCHEMBL28284712 | 0.73 | CDK8 (0.50) | — |
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-107106700-A | Peptide simulated compound and its antibody drug conjugate | 基因泰克公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-105636612-A | 1- (chloromethyl) -2, 3-dihydro-1H-benzo [ e ] indole dimer antibody-drug conjugate compounds, and methods of use and treatment | GENENTECH INC | 2016-06-01 | — | — | CN | disclosed |