Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20604531 | 0.89 | LMNA (0.36) | CYP1A2CYP2D6CYP2C19THPORAB9A | |
| SCHEMBL23926449 | 0.80 | CHRNA7 (0.35) | CYP1A2CYP2D6CHRNA7IDO1 | |
| SCHEMBL12704928 | 0.80 | POLB (0.41) | CYP2D6HIF1ACHRNA7LMNASLC18A3 | |
| Bromide SCHEMBL20604280 | 0.79 | CHRNA7 (0.34) | CHRNA7 | |
| Hydrochloric Acid SCHEMBL10750428 | 0.77 | POLB (0.40) | CYP2D6RAB9AHIF1ACHRNA7LMNA | |
| SCHEMBL20604532 | 0.76 | CHRNA7 (0.35) | CHRNA7IDO1SIGMAR1LMNAPMP22 | |
| SCHEMBL23926452 | 0.74 | HTR1A (0.36) | CYP2D6 | |
| Bromide SCHEMBL20604466 | 0.73 | HTR1A (0.35) | CYP2D6 | |
| SCHEMBL23926426 | 0.71 | PRSS1 (0.40) | — | |
| Bromide SCHEMBL20604544 | 0.70 | PRSS1 (0.39) | — |
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 |