Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ATG4B | Q9Y4P1 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20604500 | 0.98 | SMN1; SMN2 (0.38) | SMN1; SMN2TAAR1IDO1MEN1ALDH1A1 | |
| Bromide SCHEMBL20604499 | 0.98 | SMN1; SMN2 (0.41) | SMN1; SMN2TAAR1IDO1MEN1ALDH1A1 | |
| SCHEMBL23926441 | 0.84 | TAAR1 (0.34) | TAAR1IDO1CYP1A2CYP2C9 | |
| SCHEMBL23926447 | 0.79 | SIGMAR1 (0.39) | MEN1ALDH1A1KMT2A | |
| Water SCHEMBL1702603 | 0.76 | SMN1; SMN2 (0.44) | SMN1; SMN2MEN1ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL23926453 | 0.75 | SMN1; SMN2 (0.35) | SMN1; SMN2 | |
| Bromide SCHEMBL20604348 | 0.74 | SMN1; SMN2 (0.37) | SMN1; SMN2 | |
| SCHEMBL20604439 | 0.70 | CYP3A4 (0.39) | SMN1; SMN2MEN1ALDH1A1KMT2ACYP2C9 | |
| SCHEMBL4907261 | 0.70 | SMN1; SMN2 (0.36) | SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL30804526 | 0.68 | SMN1; SMN2 (0.35) | SMN1; SMN2ALDH1A1 |
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 |