Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | BPTF | Q12830 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28414014 | 0.83 | NPC1 (0.34) | ALDH1A1POLBGAAMAPTSLC6A2 | |
| SCHEMBL28408861 | 0.82 | TRPA1 (0.40) | ALDH1A1GAAMAPTTRPA1HPGD | |
| SCHEMBL28404573 | 0.82 | ALDH1A1 (0.40) | ALDH1A1MGLLGAAMAPTSLC6A2 | |
| SCHEMBL28822189 | 0.82 | TRPA1 (0.37) | ALDH1A1MGLLTRPA1 | |
| SCHEMBL28409512 | 0.82 | CASP6 (0.40) | ALDH1A1MGLLNOTUMGAAMAPT | |
| SCHEMBL28412512 | 0.81 | ALDH1A1 (0.56) | ALDH1A1NOTUMGAAMAPTHTR2C | |
| SCHEMBL28409571 | 0.79 | MAPT (0.40) | ALDH1A1FAAHMGLLNOTUMMAPT | |
| SCHEMBL28407412 | 0.78 | DRD2 (0.42) | ALDH1A1NOTUMMAPTTRPA1 | |
| SCHEMBL28410012 | 0.76 | ABL1 (0.41) | ALDH1A1NOTUMMAPTSLC6A2SMN1; SMN2 | |
| SCHEMBL28403820 | 0.75 | HSD17B3 (0.37) | TRPA1 |
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-111116487-B | Phthalazine compound, and synthetic method and application thereof | 西北农林科技大学 | 2022-08-23 | — | — | CN | claimed |
| CN-111116487-B | Phthalazine compound, and synthetic method and application thereof | 西北农林科技大学 | 2022-08-23 | — | — | CN | disclosed |
| CN-111116487-A | Phthalazine compound, and synthetic method and application thereof | 西北农林科技大学 | 2020-05-08 | — | — | CN | disclosed |