Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29734668 | 0.80 | CHRM2 (0.44) | CHRM2ADRA2AHTR2AHTR2CHTR2B | |
| SCHEMBL29858318 | 0.75 | CHRM2 (0.49) | CHRM2ADRA2AHTR2AHTR2CHTR2B | |
| SCHEMBL2061748 | 0.75 | CHRM2 (0.49) | CHRM2ADRA2AHTR2AHTR2CHTR2B | |
| SCHEMBL30565205 | 0.74 | HTR2A (0.50) | HTR2AHTR2CHTR2BSIGMAR1ALDH1A1 | |
| SCHEMBL15733055 | 0.74 | HTR2A (0.50) | HTR2AHTR2CHTR2BSIGMAR1ALDH1A1 | |
| SCHEMBL18595731 | 0.72 | HTR1A (0.42) | CHRM2HTR2ALMNAALDH1A1MAPK1 | |
| SCHEMBL4231166 | 0.72 | CHRM2 (0.47) | CHRM2ADRA2AHTR2AHTR2CHTR2B | |
| SCHEMBL19505755 | 0.72 | MAPK1 (0.40) | CHRM2ADRA2AHTR2ASIGMAR1LMNA | |
| SCHEMBL14358172 | 0.72 | CHRM2 (0.47) | CHRM2ADRA2AHTR2AHTR2CHTR2B | |
| SCHEMBL7070214 | 0.71 | CHRM2 (0.42) | CHRM2ADRA2AHTR2AHTR2CHTR2B |
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-4308573-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | Schrödinger, Inc. (US) | 2024-01-24 | — | — | EP | disclosed |
| WO-2022197898-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2022-09-22 | — | — | WO | disclosed |