Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | F12 | P00748 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | PI4KA | P42356 | 1/20 | 0.42 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.42 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ATR | Q13535 | 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 | |
|---|---|---|---|---|
| SCHEMBL481731 | 0.81 | CYP1A2 (0.51) | CYP3A4NCF1CYP1A2ATRTGFBR1 | |
| SCHEMBL2884342 | 0.77 | DPP4 (0.43) | ALDH1A1BACE1ATRKDM4EL3MBTL1 | |
| SCHEMBL28183808 | 0.75 | CYP1A2 (0.70) | ALDH1A1HPGDHSD17B10TSHRCYP1A2 | |
| SCHEMBL21351388 | 0.75 | CYP1A2 (0.44) | DHFRALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL11697066 | 0.75 | CYP2D6 (0.47) | MAPK1SRC | |
| SCHEMBL14529392 | 0.74 | CYP1A1 (0.54) | DHFRALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL27953449 | 0.74 | F12 (0.48) | DHFRALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL28228733 | 0.74 | PI4KA (0.47) | DHFRALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL15817202 | 0.74 | PI4KA (0.45) | DHFRALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL16805028 | 0.73 | DHFR (0.44) | DHFRALDH1A1HPGDHSD17B10TSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114014891-A | Purine ring modified fluorescent probe and application thereof in cobalt ion detection | 江苏科技大学 | 2022-02-08 | — | — | CN | claimed |
| CN-113501822-B | Purine-vanillin-based palladium and copper ion detection fluorescent probe and preparation method and application thereof | 江苏科技大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-114409646-B | Fluorescent probe for detecting copper ions and preparation method and application thereof | 江苏科技大学 | 2022-12-02 | — | — | CN | disclosed |
| CN-113980023-B | Compound PHA, preparation method thereof and application thereof in detection of copper ions | 江苏科技大学 | 2022-12-02 | — | — | CN | disclosed |
| CN-114409646-A | Fluorescent probe for detecting copper ions and preparation method and application thereof | 江苏科技大学 | 2022-04-29 | — | — | CN | disclosed |
| CN-114014891-A | Purine ring modified fluorescent probe and application thereof in cobalt ion detection | 江苏科技大学 | 2022-02-08 | — | — | CN | disclosed |
| CN-109678891-B | Palladium ion fluorescent probe compound and preparation method and application thereof | 江苏科技大学 | 2021-08-10 | — | — | CN | disclosed |
| CN-109897041-B | Near-infrared zinc ion fluorescent probe compound and preparation method and application thereof | 江苏科技大学 | 2021-04-23 | — | — | CN | disclosed |