Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.62 |
| ▸ | CASP1 | P29466 | 3/20 | 0.62 |
| ▸ | CASP7 | P55210 | 3/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.62 |
| ▸ | HBB | P68871 | 2/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.48 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29553137 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CYP3A4HSD17B10CASP1CASP7 | |
| SCHEMBL633786 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CYP3A4HSD17B10CASP1CASP7 | |
| SCHEMBL30692312 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CYP3A4HSD17B10CASP1CASP7 | |
| SCHEMBL15939956 | 1.00 | ALDH1A1 (0.62) | ALDH1A1CYP3A4HSD17B10CASP1CASP7 | |
| SCHEMBL29391862 | 0.94 | CYP3A4 (0.55) | ALDH1A1CYP3A4HSD17B10CASP1CASP7 | |
| SCHEMBL139321 | 0.94 | CYP3A4 (0.55) | ALDH1A1CYP3A4HSD17B10CASP1CASP7 | |
| Ammonia Solution, Strong SCHEMBL6034560 | 0.90 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HSD17B10CASP1CASP7 | |
| SCHEMBL20267099 | 0.90 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HSD17B10CASP1CASP7 | |
| SCHEMBL5605593 | 0.83 | PTK2 (0.58) | ALDH1A1CYP3A4HSD17B10CASP1CASP7 | |
| Benz(B)Anthracene SCHEMBL22352910 | 0.83 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HSD17B10CASP1CASP7 |
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-117878266-A | Electroactive material for metal-ion batteries | 奈克松有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-110753674-B | Electroactive material for metal-ion batteries | 奈克松有限公司 | 2023-12-29 | — | — | CN | disclosed |
| WO-2019028508-A1 | \"COMPOUNDS AS POTENTIAL DYE MOLECULES\ | Lleaf Pty Ltd (AU) | 2019-02-14 | — | — | WO | disclosed |