Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28606679 | 0.73 | ALDH1A1 (0.55) | LMNAMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL27407793 | 0.71 | IMPDH2 (0.50) | CYP2A6IMPDH2LMNANPSR1MEN1 | |
| SCHEMBL7973209 | 0.71 | CYP2A6 (0.50) | CYP2A6IMPDH2LMNANPSR1MEN1 | |
| SCHEMBL28136127 | 0.70 | ADAM17 (0.49) | LMNANPSR1MEN1KMT2AMAPT | |
| SCHEMBL2831679 | 0.70 | CHEK1 (0.31) | ALDH1A1TDP1HSD17B10CYP3A4SMN1; SMN2 | |
| SCHEMBL10382826 | 0.69 | MEN1 (0.35) | CYP2A6NPSR1MEN1KMT2AALDH1A1 | |
| SCHEMBL30171037 | 0.68 | ATM (0.54) | CYP2A6IMPDH2LMNANPSR1MEN1 | |
| SCHEMBL4212837 | 0.68 | ATM (0.54) | CYP2A6IMPDH2LMNANPSR1MEN1 | |
| Tert-Butyl Formate SCHEMBL27773431 | 0.68 | ATM (0.65) | CYP2A6IMPDH2MEN1KMT2AMAPT | |
| SCHEMBL1534432 | 0.68 | ENPP2 (0.34) | — |
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 |