Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.33 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | MAX | P61244 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29391783 | 1.00 | TXNRD1 (0.38) | TXNRD1CNR2CFTRPIN1S1PR4 | |
| SCHEMBL4826271 | 0.82 | S1PR4 (0.42) | TXNRD1CNR2CFTRS1PR4MAOA | |
| SCHEMBL17490468 | 0.82 | MERTK (0.51) | TXNRD1CNR2CFTRPIN1S1PR4 | |
| SCHEMBL18952542 | 0.77 | S1PR4 (0.50) | CFTRS1PR4ALDH1A1 | |
| SCHEMBL18952588 | 0.75 | S1PR4 (0.49) | CFTRS1PR4ALDH1A1 | |
| SCHEMBL31104588 | 0.74 | MERTK (0.48) | TXNRD1S1PR4ALDH1A1MERTK | |
| SCHEMBL2033509 | 0.74 | ALDH1A1 (0.38) | TXNRD1POLBALDH1A1FGFR4CYP19A1 | |
| SCHEMBL1029176 | 0.74 | MERTK (0.48) | TXNRD1S1PR4ALDH1A1MERTK | |
| SCHEMBL24992474 | 0.74 | HCRTR1 (0.40) | TXNRD1CNR2CFTRPOLB | |
| SCHEMBL16702809 | 0.73 | PIN1 (0.59) | TXNRD1PIN1ALDH1A1 |
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 5 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 |
| 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 |