Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.34 |
| ▸ | RAB9A | P51151 | 5/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.33 |
| ▸ | RELA | Q04206 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL2533455 | 0.98 | NOTUM (0.44) | NOTUMALDH1A1NPC1RAB9ASMN1; SMN2 | |
| Biphenyl SCHEMBL5477829 | 0.98 | NOTUM (0.44) | NOTUMALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10618613 | 0.87 | GPR55 (0.40) | NOTUMALDH1A1SMN1; SMN2MAPK1PRKACA | |
| Benzene SCHEMBL27338794 | 0.83 | PARP1 (0.33) | — | |
| Biphenyl SCHEMBL28422560 | 0.82 | NOTUM (0.32) | NOTUMALDH1A1 | |
| Naphthalene SCHEMBL27805984 | 0.81 | CYP2A6 (0.40) | ALDH1A1 | |
| Fluorobenzene SCHEMBL28654904 | 0.80 | NFE2L2 (0.32) | — | |
| Phenol SCHEMBL3830856 | 0.80 | CA12 (0.48) | ALDH1A1NPC1RAB9ACYP3A4TDP1 | |
| Iodobenzene SCHEMBL27533418 | 0.80 | HDAC8 (0.33) | — | |
| Benzene SCHEMBL27557066 | 0.80 | PARP1 (0.32) | — |
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-105646476-A | Dibenzo[1,2,5] selenadiazole derivative and preparation method and application thereof | 暨南大学 | 2016-06-08 | — | — | CN | disclosed |