Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6762451 | 0.68 | ALDH1A1 (0.36) | CHRNB2CHRNA4LMNATP53CYP3A4 | |
| SCHEMBL30388070 | 0.67 | BRD4 (0.35) | HTR2ACYP2D6CHRNB2CHRNA4ADRA2B | |
| SCHEMBL28806317 | 0.66 | ALDH1A1 (0.37) | CHRNB2CHRNA4HSD17B10 | |
| Hydrochloric Acid SCHEMBL19056255 | 0.65 | CHRNB2 (0.31) | CHRNB2CHRNA4 | |
| SCHEMBL6545201 | 0.65 | HTR2A (0.33) | HTR2ACYP2D6 | |
| SCHEMBL28849090 | 0.64 | ALDH1A1 (0.38) | HTR2ACHRNB2CHRNA4CYP3A4HSD17B10 | |
| SCHEMBL28219801 | 0.63 | AURKA (0.32) | — | |
| SCHEMBL6245157 | 0.63 | ALDH1A1 (0.41) | KDM4ELMNAHSD17B10MEN1KMT2A | |
| SCHEMBL3239448 | 0.63 | HTR2A (0.45) | HTR2ACYP2D6KDM4ELMNATP53 | |
| SCHEMBL28303653 | 0.62 | BACE1 (0.38) | HTR2ACHRNB2CHRNA4HSD17B10MEN1 |
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-2020201610-A1 | SPIRO-HETEROCYCLIC COMPOUNDS AND METHOD OF PREPARATION THEREOF | UNIVERSIDAD DE MURCIA (ES) | 2020-10-08 | — | — | WO | disclosed |