Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | HTR6 | P50406 | 3/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL23926422 | 0.84 | RXFP1 (0.37) | SIGMAR1MEN1KMT2APKMMAPK1 | |
| SCHEMBL23926441 | 0.82 | TAAR1 (0.34) | SIGMAR1SLC18A3 | |
| SCHEMBL10256959 | 0.81 | SLC18A3 (0.44) | SIGMAR1SLC18A3MEN1KMT2AHTR6 | |
| SCHEMBL23926429 | 0.79 | SMN1; SMN2 (0.39) | MEN1KMT2AALDH1A1 | |
| Bromide SCHEMBL20604499 | 0.78 | SMN1; SMN2 (0.41) | MEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL20604500 | 0.78 | SMN1; SMN2 (0.38) | MEN1KMT2AALDH1A1 | |
| SCHEMBL16019894 | 0.74 | ALDH1A1 (0.41) | SLC18A3MEN1KMT2APKMALDH1A1 | |
| SCHEMBL20604439 | 0.68 | CYP3A4 (0.39) | MEN1KMT2APKMMAPK1ALDH1A1 | |
| SCHEMBL11267644 | 0.62 | HRH3 (0.61) | SIGMAR1HTR2AHTR6HTR2CHTR7 | |
| SCHEMBL30813041 | 0.60 | TAAR1 (0.60) | SIGMAR1HTR2AHTR6HTR2CHTR7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3423441-B1 | IODINATED ANALOGS OF CHOLINE, METHODS OF PREPARATION THEREOF, AND USE THEREOF AS MEDICAMENTS | UNIV PALACKEHO (CZ) | 2021-10-27 | — | — | EP | claimed |