Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
| ▸ | LIMK2 | P53671 | 5/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26007609 | 0.88 | LIMK2 (0.40) | HTR2CSLC6A4GLSLIMK2ABL1 | |
| SCHEMBL16629508 | 0.80 | HTR2C (0.40) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL20692403 | 0.77 | SCN3A (0.38) | HTR2CSLC6A4GLSCACNA1GCACNA1B | |
| SCHEMBL20681015 | 0.76 | CA2 (0.50) | CA2 | |
| SCHEMBL21810636 | 0.75 | HTR2C (0.35) | HTR2CSLC6A4GLSCTSLCTSB | |
| SCHEMBL26007608 | 0.75 | HTR2C (0.37) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL2229917 | 0.74 | MTOR (0.48) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL17544325 | 0.74 | HDAC3 (0.39) | HTR2CSLC6A4HDAC3HDAC1HDAC2 | |
| SCHEMBL21893848 | 0.73 | LIMK2 (0.43) | LIMK2ABL1LCKLIMK1 | |
| SCHEMBL22012877 | 0.73 | GLS (0.36) | HTR2CSLC6A4GLSLIMK2MMP13 |
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-3880659-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | Novartis AG (CH) | 2021-09-22 | — | — | 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 |