Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TAS2R38 | P59533 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | TYR | P14679 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | RRM2 | P31350 | 2/20 | 0.51 |
| ▸ | RRM1 | P23921 | 1/20 | 0.51 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.51 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.51 |
| ▸ | PRKCI | P41743 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| Thiosemicarbazide SCHEMBL27702929 | 0.84 | RRM2 (0.57) | ALDH1A1RRM2RRM1RRM2BCISD1 | |
| Thiourea SCHEMBL28502228 | 0.83 | RRM2 (0.55) | ALDH1A1RRM2RRM1RRM2BCISD1 | |
| Urea SCHEMBL28153660 | 0.78 | RRM2 (0.49) | RRM2RRM1RRM2BCISD1NPSR1 | |
| SCHEMBL1501696 | 0.78 | — | — | |
| SCHEMBL29113020 | 0.78 | RRM2 (0.54) | ALDH1A1RRM2RRM1RRM2BCISD1 | |
| Hydrogen Sulfide SCHEMBL28281811 | 0.77 | RRM1 (0.45) | ALDH1A1RRM2RRM1RRM2BCISD1 | |
| Phenylthiourea SCHEMBL10948596 | 0.77 | ALDH1A1 (0.83) | ALDH1A1TAS2R38TP53TYRTSHR | |
| Urea SCHEMBL21612150 | 0.76 | RRM2 (0.46) | RRM2RRM1RRM2BCISD1NPSR1 | |
| Urea SCHEMBL21612151 | 0.74 | RRM2 (0.45) | ALDH1A1RRM2RRM1RRM2BCISD1 | |
| Phenylthiourea SCHEMBL11820844 | 0.73 | ALDH1A1 (1.00) | ALDH1A1TAS2R38TP53TYRTSHR |
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-108289922-B | Therapeutic methods and compositions for treating non-small cell lung cancer | 友杏生技医药股份有限公司 | 2022-02-08 | — | — | CN | disclosed |