Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28587826 | 0.89 | NHERF1 (0.44) | EGFRERBB2KMT2AGAAALDH1A1 | |
| SCHEMBL28572871 | 0.87 | CYP2C19 (0.51) | KMT2AGAAALDH1A1KDM4EMEN1 | |
| SCHEMBL28579676 | 0.85 | KMT2A (0.46) | EGFRERBB2KMT2AGAAALDH1A1 | |
| SCHEMBL4059194 | 0.81 | ALDH1A1 (0.49) | KMT2AGAAALDH1A1L3MBTL1LMNA | |
| SCHEMBL28580040 | 0.81 | SMN1; SMN2 (0.46) | ALDH1A1LMNASMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL28571500 | 0.78 | CNR1 (0.49) | EGFRKMT2AALDH1A1LMNAHSD17B10 | |
| SCHEMBL11993560 | 0.74 | TDP1 (0.58) | EGFRERBB2KMT2AGAAALDH1A1 | |
| SCHEMBL28581698 | 0.74 | CNR1 (0.49) | EGFRKMT2AGAAALDH1A1LMNA | |
| SCHEMBL9611222 | 0.73 | ALDH1A1 (0.56) | KMT2AGAAALDH1A1L3MBTL1LMNA | |
| SCHEMBL9611224 | 0.73 | ALDH1A1 (0.56) | KMT2AGAAALDH1A1L3MBTL1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110066231-B | Aza beta-substituted Morita-Baylis-Hillman type compound and synthetic method thereof | 江苏师范大学 | 2021-06-25 | — | — | CN | disclosed |