Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CTSC | P53634 | 4/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.40 |
| ▸ | MAN2A1 | Q16706 | 1/20 | 0.40 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12333752 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL16015166 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL16376134 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL16139975 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL20193704 | 0.93 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL13974186 | 0.85 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL24056571 | 0.83 | LMNA (0.60) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL7305357 | 0.83 | LMNA (0.60) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL24057819 | 0.83 | LMNA (0.60) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL7313727 | 0.81 | RECQL (0.62) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC |
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 |
|---|---|---|---|---|---|---|---|
| US-8829208-B2 | Process for the preparation of darunavir and darunavir intermediates | MAPI PHARMA LTD. (IL) | 2014-09-09 | — | — | US | disclosed |