Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.44 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.44 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.44 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.44 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.44 |
| ▸ | TUBB6 | Q9BUF5 | 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 | |
|---|---|---|---|---|
| SCHEMBL18459891 | 0.82 | CYP1A1 (0.56) | BACE1ALDH1A1NQO2CYP1A2CYP1A1 | |
| SCHEMBL154497 | 0.81 | ALDH1A1 (0.68) | BACE1ALDH1A1L3MBTL1NQO2CYP1A2 | |
| SCHEMBL11289010 | 0.81 | ALDH1A1 (0.71) | ALDH1A1L3MBTL1CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL25746980 | 0.79 | CYBB (0.49) | BACE1ALDH1A1L3MBTL1CYBBNOX4 | |
| SCHEMBL28639990 | 0.79 | CYP1A2 (0.44) | BACE1ALDH1A1L3MBTL1NQO2CYP1A2 | |
| SCHEMBL3627239 | 0.79 | CYP1A2 (0.70) | ALDH1A1CYP1A2CYP1A1CYP1B1NFE2L2 | |
| SCHEMBL30411244 | 0.79 | CYP1A2 (0.70) | ALDH1A1CYP1A2CYP1A1CYP1B1NFE2L2 | |
| SCHEMBL13236413 | 0.78 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL10771723 | 0.78 | NQO2 (0.47) | ALDH1A1NQO2TUBB4ATUBBTUBA3C | |
| SCHEMBL22203787 | 0.77 | MAPT (0.48) | BACE1ALDH1A1L3MBTL1NQO2CYP1A2 |
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-113402514-B | Organic dye compound and preparation method and application thereof | 南方医科大学 | 2022-05-03 | — | — | CN | disclosed |
| CN-113402514-A | Organic dye compound and preparation method and application thereof | 南方医科大学 | 2021-09-17 | — | — | CN | disclosed |