Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 5/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23564665 | 0.89 | HDAC6 (0.36) | CA1CA12CA14CA2CTSK | |
| SCHEMBL29852060 | 0.87 | CA2 (0.38) | CA2CTSKHDAC6HDAC1HDAC2 | |
| SCHEMBL30376800 | 0.87 | CA2 (0.38) | CA2CTSKHDAC6HDAC1HDAC2 | |
| SCHEMBL25123300 | 0.86 | AAK1 (0.34) | CA1CA12CA14CA2HDAC6 | |
| SCHEMBL13999424 | 0.85 | AAK1 (0.39) | CA1CA12CA14CA2CTSK | |
| SCHEMBL17571449 | 0.84 | HDAC6 (0.33) | CA1CA12CA14CA2CTSK | |
| SCHEMBL9606667 | 0.82 | HDAC6 (0.32) | CA1CA12CA14CA2HDAC6 | |
| SCHEMBL16281192 | 0.82 | HDAC6 (0.33) | HDAC6HDAC1HDAC2MMP13AAK1 | |
| SCHEMBL6756534 | 0.81 | CA14 (0.39) | CA1CA12CA14CA2CTSK | |
| SCHEMBL24881082 | 0.80 | CA1 (0.38) | CA1CA12CA14CA2CTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-3700911-B1 | NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SERVIER LAB (FR) | 2023-09-06 | — | — | EP | disclosed |
| WO-2020102576-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |