Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 10/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28111651 | 0.84 | ERN1 (0.47) | ERN1ABL1ABCB1BCRESR1 | |
| SCHEMBL9721340 | 0.80 | ERN1 (0.46) | ERN1ESR1ESR2ALDH5A1ABAT | |
| SCHEMBL5013561 | 0.80 | XDH (0.51) | ERN1ABL1ABCB1BCRESR1 | |
| SCHEMBL6638877 | 0.78 | ERN1 (0.44) | ERN1ESR1ESR2ALDH5A1ABAT | |
| SCHEMBL8011498 | 0.76 | HSD17B10 (0.50) | ERN1ABL1ABCB1BCRESR1 | |
| SCHEMBL19153115 | 0.74 | ERN1 (0.46) | ERN1GAAESR1ESR2ALDH5A1 | |
| SCHEMBL15742298 | 0.72 | ERN1 (0.48) | ERN1ABL1ABCB1BCRESR1 | |
| Phenol SCHEMBL27680449 | 0.71 | BACE1 (0.50) | ERN1ABL1ABCB1BCRHSD17B10 | |
| SCHEMBL29076109 | 0.71 | HSD17B10 (0.48) | ABL1ABCB1BCRMGAMGAA | |
| SCHEMBL30576729 | 0.71 | HSD17B10 (0.48) | ABL1ABCB1BCRMGAMGAA |
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-116789590-B | Diamine compound containing piperidine group, and preparation method and application thereof | 波米科技有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-116789590-A | Diamine compound containing piperidine group, and preparation method and application thereof | 波米科技有限公司 | 2023-09-22 | — | — | CN | disclosed |