Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8324162 | 0.90 | CCR1 (0.43) | AHRCDC7CDK2ALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL28471192 | 0.88 | CCR1 (0.42) | AHRCDC7CDK2ALDH1A1MAPT | |
| Formamide SCHEMBL28553487 | 0.87 | AHR (0.40) | AHRCDC7CDK2PARP1ALDH1A1 | |
| SCHEMBL19233651 | 0.74 | CDC7 (0.46) | AHRCDC7CDK2PARP1ALDH1A1 | |
| SCHEMBL19233630 | 0.74 | ALDH1A1 (0.40) | CDC7CDK2PARP1ALDH1A1MAPT | |
| SCHEMBL27898683 | 0.73 | DAO (0.47) | ALDH1A1MAPTTP53NPC1KDM4E | |
| SCHEMBL19841330 | 0.71 | RORC (0.41) | AHRCDC7CDK2ALDH1A1USP2 | |
| SCHEMBL23727323 | 0.71 | PARP1 (0.47) | AHRCDC7CDK2PARP1MAPT | |
| SCHEMBL18525407 | 0.70 | ALDH1A1 (0.40) | PARP1ALDH1A1MAPTL3MBTL1TP53 | |
| SCHEMBL31298631 | 0.70 | KDM4E (0.42) | AHRCDC7CDK2ALDH1A1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105916503-B | Heteroaryl compounds and uses thereof | 米伦纽姆医药公司 | 2020-04-14 | — | — | CN | disclosed |