Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | GALR2 | O43603 | 1/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | CCR6 | P51684 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24251661 | 1.00 | ALDH1A1 (0.46) | ALDH1A1NPSR1POLBGALR2MITF | |
| SCHEMBL10745494 | 0.87 | POLB (0.49) | ALDH1A1NPSR1POLBGALR2MITF | |
| SCHEMBL28359193 | 0.85 | POLB (0.45) | ALDH1A1NPSR1POLBGALR2MITF | |
| SCHEMBL17490464 | 0.84 | NPSR1 (0.46) | ALDH1A1NPSR1POLBGALR2MITF | |
| SCHEMBL28973017 | 0.83 | POLB (0.44) | ALDH1A1NPSR1POLBGALR2MITF | |
| SCHEMBL29389430 | 0.82 | NPSR1 (0.46) | ALDH1A1NPSR1POLBGALR2MITF | |
| SCHEMBL24251729 | 0.82 | NPSR1 (0.46) | ALDH1A1NPSR1POLBGALR2MITF | |
| SCHEMBL31149365 | 0.80 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2KMT2AHTT | |
| SCHEMBL24251673 | 0.78 | ALDH1A1 (0.44) | ALDH1A1NPSR1POLBGALR2MITF | |
| SCHEMBL17490478 | 0.76 | ALDH1A1 (0.42) | ALDH1A1NPSR1POLBGALR2MITF |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115836064-B | Triazine derivative with EGFR (epidermal growth factor receptor) inhibition activity as well as preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2024-08-27 | — | — | CN | disclosed |
| CN-117440945-A | Pyrimidine or pyridine derivative, preparation method thereof and application thereof in pharmacy | 上海和誉生物医药科技有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-115867539-A | 2, 3-dihydro-1H-pyrrolo [3,2-b ] pyridine derivatives, preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-115836064-A | Triazine derivative with EGFR (epidermal growth factor receptor) inhibitory activity and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-110642838-B | EGFR inhibitor and preparation and application thereof | 江苏威凯尔医药科技有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-110642836-B | EGFR inhibitor and preparation and application thereof | 江苏威凯尔医药科技有限公司 | 2022-08-09 | — | — | CN | disclosed |