Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | MMP2 | P08253 | 3/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 4/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.31 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18860584 | 0.90 | MAPK1 (0.40) | HDAC3HDAC1HDAC2MAPK1HTT | |
| SCHEMBL24782522 | 0.77 | HPGD (0.50) | CA12MMP2MMP8CA14CA9 | |
| SCHEMBL24899752 | 0.77 | EPHX1 (0.30) | — | |
| SCHEMBL14966174 | 0.76 | CA2 (0.44) | HTTKMT2A | |
| SCHEMBL24899842 | 0.74 | FDFT1 (0.37) | CHRNB2CHRNA4 | |
| SCHEMBL4258684 | 0.69 | CYP2A6 (0.50) | CYP2A6CA12MMP2MMP9MMP8 | |
| SCHEMBL23732395 | 0.69 | KDM1A (0.39) | KDM1AKDM1BNPC1RAB9AKMT2A | |
| SCHEMBL8148549 | 0.68 | SMYD3 (0.39) | HTTKDM1AMAOBRCOR1KDM1B | |
| SCHEMBL18486590 | 0.68 | HPGD (0.45) | NPC1RAB9AKMT2A | |
| SCHEMBL14966930 | 0.68 | GAA (0.44) | HTTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023284869-A1 | SULFUR/PHOSPHORUS-CONTAINING ARYL COMPOUND AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2023-01-19 | — | — | WO | disclosed |