Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18257000 | 1.00 | CA14 (0.42) | CA14CA12CA7CA2CA3 | |
| SCHEMBL19699862 | 0.94 | CHRM2 (0.39) | CA14CA12CA7CA2CA3 | |
| SCHEMBL7783463 | 0.89 | HDAC6 (0.38) | CA14CA12CA7GBA1HDAC6 | |
| SCHEMBL10260946 | 0.88 | HDAC6 (0.40) | CA14CA12CA7CHRM2CHRM4 | |
| SCHEMBL19865534 | 0.87 | CHRNB2 (0.37) | CA14CA12CA7CHRNB2CHRNA4 | |
| SCHEMBL25970378 | 0.87 | CA14 (0.40) | CA14CA12CA7CA2GBA1 | |
| SCHEMBL20235037 | 0.85 | MAPT (0.43) | CA14GBA1HDAC6HDAC1HDAC2 | |
| SCHEMBL13244217 | 0.85 | GBA1 (0.34) | CA14GBA1HDAC6HDAC1HDAC2 | |
| SCHEMBL21871862 | 0.85 | GBA1 (0.35) | CA14CA12CA7GBA1HDAC6 | |
| SCHEMBL19865535 | 0.85 | GBA1 (0.35) | CA14CA12CA7CHRNB2CHRNA4 |
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-2023086438-A1 | PRODRUGS OF NEUROSTEROID ANALOGS AND USES THEREOF | EMORY UNIVERSITY (US) | 2023-05-19 | — | — | WO | disclosed |