Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28606708 | 0.85 | RPS6KA5 (0.40) | RPS6KA5HPGDMAPTALDH1A1TDP1 | |
| SCHEMBL19100670 | 0.79 | CYP11B1 (0.35) | RPS6KA5 | |
| SCHEMBL28608545 | 0.78 | HPGD (0.36) | RPS6KA5HPGDMAPTALDH1A1TDP1 | |
| SCHEMBL28605367 | 0.77 | PIN1 (0.38) | HPGDMAPTALDH1A1TDP1NPSR1 | |
| SCHEMBL28600554 | 0.75 | RPS6KA5 (0.39) | RPS6KA5KDM4EPOLB | |
| SCHEMBL19100385 | 0.66 | RPS6KA5 (0.35) | RPS6KA5MKNK1 | |
| SCHEMBL31377998 | 0.63 | RPS6KA5 (0.46) | RPS6KA5HPGDMAPTALDH1A1TDP1 | |
| SCHEMBL15968256 | 0.62 | CHRNB2 (0.34) | ALDH1A1TDP1LMNAPOLBKMT2A | |
| SCHEMBL19100706 | 0.61 | CYP11B2 (0.32) | MAPTCYP2C9 | |
| SCHEMBL1165944 | 0.61 | CYP3A4 (0.41) | HPGDMAPTALDH1A1TDP1CYP1A2 |
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-109328059-B | Selective inhibitors of clinically important mutants of EGFR tyrosine kinase | CS制药技术有限公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-109328059-A | Selective inhibitors of clinically important mutants of EGFR tyrosine kinase | CS制药技术有限公司 | 2019-02-12 | — | — | CN | disclosed |