Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | ACP1 | P24666 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4262506 | 0.95 | NCF1 (0.56) | NCF1HPGDL3MBTL1KDM4EATM | |
| SCHEMBL177816 | 0.85 | HTR3A (0.61) | NCF1KDM4EALDH1A1HTR3AHRH4 | |
| SCHEMBL11275047 | 0.85 | NCF1 (0.58) | NCF1HPGDKDM4EMAPK1TSHR | |
| SCHEMBL12215244 | 0.85 | HTR2C (0.59) | NCF1HPGDKDM4ETSHRHSD17B10 | |
| SCHEMBL4770137 | 0.82 | SMN1; SMN2 (0.51) | HPGDL3MBTL1TSHRMAPTCYP1A2 | |
| SCHEMBL11282819 | 0.81 | ALDH1A1 (0.53) | HPGDKDM4EMAPK1TSHRHSD17B10 | |
| SCHEMBL26134146 | 0.79 | NCF1 (0.50) | NCF1HPGDL3MBTL1KDM4EATM | |
| SCHEMBL25533157 | 0.76 | HPGD (0.52) | HPGDL3MBTL1KDM4EATMMAPK1 | |
| SCHEMBL11283343 | 0.74 | NCF1 (0.50) | NCF1HPGDKDM4EMAPK1TSHR | |
| SCHEMBL26106707 | 0.71 | HTR3A (0.35) | NCF1MAPK1TSHRHSD17B10HTR3A |
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-117229289-A | Preparation and application of EGFR inhibitor with macrocyclic structure | 药雅科技(上海)有限公司 | 2023-12-15 | — | — | CN | disclosed |
| WO-2023174406-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2023-09-21 | — | — | WO | disclosed |