Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | RGS12 | O14924 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 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 | |
|---|---|---|---|---|
| SCHEMBL17442633 | 0.81 | NQO1 (0.54) | NQO1KDM4EHSD17B10TSHRALDH1A1 | |
| SCHEMBL30570055 | 0.79 | GAA (0.48) | PTGS1AKR1C3AKR1C2SLC22A12GAA | |
| SCHEMBL15047212 | 0.78 | NQO1 (0.58) | NQO1GAAKDM4EMAPTHPGD | |
| SCHEMBL16881222 | 0.78 | NQO1 (0.54) | NQO1GAAKDM4EMAPTTSHR | |
| SCHEMBL17442652 | 0.78 | NQO1 (0.54) | NQO1GAAKDM4EMAPTTSHR | |
| SCHEMBL7397700 | 0.78 | PTGS1 (0.54) | PTGS1AKR1C3AKR1C2SLC22A12AKR1B1 | |
| SCHEMBL25400513 | 0.77 | EGLN1 (0.43) | PTGS1AKR1C3AKR1C2SLC22A12AKR1B1 | |
| SCHEMBL31264140 | 0.77 | EGLN1 (0.43) | PTGS1AKR1C3AKR1C2SLC22A12AKR1B1 | |
| SCHEMBL14676915 | 0.76 | PTGS1 (0.49) | PTGS1AKR1C3AKR1C2AKR1B1GAA | |
| SCHEMBL998077 | 0.76 | NQO1 (0.53) | NQO1SLC22A12GAAKDM4EMAPT |
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-118742550-A | Methionine adenosyltransferase inhibitor, preparation method and application thereof | 赛诺哈勃药业（成都）有限公司 | 2024-10-01 | — | — | CN | disclosed |
| WO-2023169554-A1 | METHIONINE ADENOSINE TRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 赛诺哈勃药业（成都）有限公司 | 2023-09-14 | — | — | WO | disclosed |