Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GALR2 | O43603 | 1/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 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 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29389430 | 1.00 | NPSR1 (0.46) | NPSR1ALDH1A1LMNAGALR2MITF | |
| SCHEMBL17490379 | 0.86 | NPSR1 (0.46) | NPSR1ALDH1A1LMNAGALR2MITF | |
| SCHEMBL29756268 | 0.82 | ALDH1A1 (0.46) | NPSR1ALDH1A1LMNAGALR2MITF | |
| SCHEMBL24251661 | 0.82 | ALDH1A1 (0.46) | NPSR1ALDH1A1LMNAGALR2MITF | |
| SCHEMBL24251711 | 0.81 | ALDH1A1 (0.41) | NPSR1ALDH1A1LMNAGALR2MITF | |
| SCHEMBL18978915 | 0.80 | ALDH1A1 (0.40) | NPSR1ALDH1A1LMNAGALR2MITF | |
| SCHEMBL28359193 | 0.80 | POLB (0.45) | NPSR1ALDH1A1LMNAGALR2MITF | |
| SCHEMBL28510516 | 0.79 | ALDH1A1 (0.44) | NPSR1ALDH1A1LMNAGALR2MITF | |
| SCHEMBL28973017 | 0.78 | POLB (0.44) | NPSR1ALDH1A1LMNAGALR2MITF | |
| SCHEMBL29133283 | 0.75 | WDR5 (0.40) | NPSR1ALDH1A1LMNAGALR2MITF |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115701429-B | 4- (1H-indol-1-yl) pyrimidine-2-amino derivative, and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2024-03-12 | — | — | 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-115701429-A | 4- (1H-indole-1-yl) pyrimidine-2-amino derivative and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-02-10 | — | — | CN | disclosed |
| WO-2022033455-A1 | TRIAZINE DERIVATIVE HAVING EGFR INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海和誉生物医药科技有限公司 | 2022-02-17 | — | — | WO | disclosed |