Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27157885 | 1.00 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29913278 | 0.83 | MAPT (0.38) | HPGDHSD17B10GRIA2GRIA4DHODH | |
| SCHEMBL27157865 | 0.83 | MAPT (0.38) | HPGDHSD17B10GRIA2GRIA4DHODH | |
| SCHEMBL6485737 | 0.80 | CYP1A2 (0.42) | CA1CA2ALDH1A1KDM4EHPGD | |
| SCHEMBL29912955 | 0.80 | CYP1A2 (0.42) | CA1CA2ALDH1A1KDM4EHPGD | |
| SCHEMBL30785435 | 0.79 | GAA (0.38) | ALDH1A1HPGDKMT2A | |
| SCHEMBL27158658 | 0.79 | GAA (0.38) | ALDH1A1HPGDKMT2A | |
| SCHEMBL29913098 | 0.74 | KDM5A (0.43) | KDM4EGRIA2GRIA4DHODHKMT2A | |
| SCHEMBL9177751 | 0.74 | EGFR (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27157832 | 0.74 | KDM5A (0.43) | KDM4EGRIA2GRIA4DHODHKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-4329881-A1 | SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF | Vanqua Bio, Inc. (US) | 2024-03-06 | — | — | EP | disclosed |
| CN-117642404-A | Small molecule modulators of glucocerebrosidase activity and uses thereof | 凡况生化公司 | 2024-03-01 | — | — | CN | disclosed |
| WO-2022232383-A1 | SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF | VANQUA BIO, INC. (US) | 2022-11-03 | — | — | WO | disclosed |