Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | BMP4 | P12644 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.46 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29699887 | 0.81 | CYP1A2 (0.60) | NPC1RAB9ATP53MAPTPTK2B | |
| SCHEMBL27917128 | 0.81 | CYP1A2 (0.60) | NPC1RAB9ATP53MAPTPTK2B | |
| SCHEMBL1227713 | 0.81 | CYP1A2 (0.60) | NPC1RAB9ATP53MAPTPTK2B | |
| SCHEMBL248690 | 0.80 | HTR1A (0.63) | SMN1; SMN2NCF1HTR1AADRA1DADRA1A | |
| SCHEMBL30487734 | 0.79 | CYP1A2 (0.58) | NPC1RAB9ATP53MAPTPTK2B | |
| Hydrochloric Acid SCHEMBL696334 | 0.78 | HTR1A (0.61) | SMN1; SMN2NCF1HTR1AADRA1DADRA1A | |
| Hydrochloric Acid SCHEMBL695985 | 0.78 | HTR1A (0.61) | SMN1; SMN2NCF1HTR1AADRA1DADRA1A | |
| SCHEMBL7918743 | 0.77 | MAPT (0.56) | NPC1RAB9ATP53MAPTPTK2B | |
| SCHEMBL27278123 | 0.77 | NPC1 (0.57) | NPC1RAB9ATP53MAPTPTK2B | |
| SCHEMBL4541414 | 0.74 | CYP1A2 (0.59) | NPC1RAB9ATP53MAPTPTK2B |
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-115057816-B | 4-aminoquinoline compound, preparation method thereof and application thereof in anti-tumor drugs | 郑州大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-115057816-A | 4-aminoquinoline compound, preparation method thereof and application thereof in antitumor drugs | 郑州大学 | 2022-09-16 | — | — | CN | disclosed |