Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | SLC18A3 | Q16572 | 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 | |
|---|---|---|---|---|
| SCHEMBL23926429 | 0.84 | SMN1; SMN2 (0.39) | TAAR1IDO1CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL20604500 | 0.83 | SMN1; SMN2 (0.38) | TAAR1IDO1CYP1A2CYP2C9 | |
| Bromide SCHEMBL20604499 | 0.83 | SMN1; SMN2 (0.41) | TAAR1IDO1CYP1A2CYP2C9 | |
| SCHEMBL20604439 | 0.83 | CYP3A4 (0.39) | CYP2D6CYP2C9 | |
| SCHEMBL23926447 | 0.82 | SIGMAR1 (0.39) | SIGMAR1SLC18A3 | |
| Hydrochloric Acid SCHEMBL10750428 | 0.75 | POLB (0.40) | POLBL3MBTL1CYP2D6SLC18A3 | |
| SCHEMBL12704928 | 0.74 | POLB (0.41) | POLBL3MBTL1CYP2D6SLC18A3 | |
| SCHEMBL23926449 | 0.71 | CHRNA7 (0.35) | POLBL3MBTL1IDO1CYP1A2CYP2D6 | |
| SCHEMBL23926437 | 0.71 | HTR1A (0.34) | POLBL3MBTL1IDO1CYP2D6 | |
| SCHEMBL20604441 | 0.70 | KDM4E (0.33) | CYP2D6 |
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 |