Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL1672650 | 0.74 | CYP1A2 (0.60) | CYP1A2KDM4EGPR3EGFRHTR3A | |
| SCHEMBL30527184 | 0.74 | CYP1A2 (0.60) | CYP1A2KDM4EGPR3EGFRHTR3A | |
| SCHEMBL30198446 | 0.74 | CYP1A2 (0.60) | CYP1A2KDM4EGPR3EGFRHTR3A | |
| SCHEMBL8197681 | 0.73 | RAB9A (0.53) | CYP1A2KDM4EMAPTRAB9ANPC1 | |
| SCHEMBL968255 | 0.73 | PDGFRB (0.49) | CYP1A2MAPTRAB9ANPC1ALDH1A1 | |
| SCHEMBL13911016 | 0.70 | CYP1A2 (0.56) | CYP1A2KDM4EGPR3EGFRHTR3A | |
| SCHEMBL10365075 | 0.69 | TERT (0.39) | KDM4EMAPTRAB9ANPC1ATM | |
| SCHEMBL28838168 | 0.69 | ERN1 (0.35) | KDM4EGPR3MAPTRAB9ALMNA | |
| SCHEMBL18806864 | 0.67 | CYP1A2 (0.61) | CYP1A2KDM4EGPR3EGFRHTR3A | |
| SCHEMBL713218 | 0.67 | CYP1A2 (0.66) | CYP1A2KDM4EGPR3MAPTRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115010706-A | Preparation method and application of quinazolinone-based 1,3, 4-thiadiazole derivative | 天津理工大学 | 2022-09-06 | — | — | CN | claimed |
| CN-115010706-A | Preparation method and application of quinazolinone-based 1,3, 4-thiadiazole derivative | 天津理工大学 | 2022-09-06 | — | — | CN | disclosed |
| CN-115010706-A | Preparation method and application of quinazolinone-based 1,3, 4-thiadiazole derivative | 天津理工大学 | 2022-09-06 | — | — | CN | disclosed |