Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21656555 | 0.81 | HTR2A (0.38) | KDM4EALDH1A1USP2ADRA2AADRA1A | |
| SCHEMBL9717662 | 0.80 | CA1 (0.46) | KDM4EALDH1A1ACHEMAPTHPGD | |
| SCHEMBL930177 | 0.80 | KDM4E (0.43) | KDM4EALDH1A1USP2ADRA2AADRA1A | |
| SCHEMBL669891 | 0.79 | CYP2D6 (0.49) | KDM4EADRA2AADRA1ACYP2D6NFE2L2 | |
| SCHEMBL29429683 | 0.79 | CYP2D6 (0.49) | KDM4EADRA2AADRA1ACYP2D6NFE2L2 | |
| SCHEMBL895659 | 0.79 | CYP2D6 (0.49) | KDM4EADRA2AADRA1ACYP2D6NFE2L2 | |
| SCHEMBL896090 | 0.79 | CYP2D6 (0.49) | KDM4EADRA2AADRA1ACYP2D6NFE2L2 | |
| SCHEMBL20365474 | 0.77 | USP30 (0.35) | KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL25187678 | 0.77 | CES2 (0.40) | ALDH1A1 | |
| SCHEMBL11039085 | 0.75 | HTR2A (0.34) | KDM4EALDH1A1MAPTHPGDSMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111592535-B | Preparation method of EGFR mutation resistant inhibitor EAI045 | 通化师范学院 | 2021-07-20 | — | — | CN | claimed |
| CN-111592535-A | Preparation method of EGFR mutation resistant inhibitor EAI045 | 通化师范学院 | 2020-08-28 | — | — | CN | claimed |
| CN-116693518-A | Synthesis and application of EGFR inhibitor | 江南大学 | 2023-09-05 | — | — | CN | disclosed |
| CN-111592535-B | Preparation method of EGFR mutation resistant inhibitor EAI045 | 通化师范学院 | 2021-07-20 | — | — | CN | disclosed |
| CN-111592535-B | Preparation method of EGFR mutation resistant inhibitor EAI045 | 通化师范学院 | 2021-07-20 | — | — | CN | disclosed |
| CN-111592535-A | Preparation method of EGFR mutation resistant inhibitor EAI045 | 通化师范学院 | 2020-08-28 | — | — | CN | disclosed |
| CN-111592535-A | Preparation method of EGFR mutation resistant inhibitor EAI045 | 通化师范学院 | 2020-08-28 | — | — | CN | disclosed |