Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.39 |
| ▸ | ATP4A | P20648 | 5/20 | 0.36 |
| ▸ | ATP4B | P51164 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL17694363 | 0.92 | HRH3 (0.35) | CYP1A2CYP19A1CYP2C9CYP2C19ATP4A | |
| SCHEMBL4754949 | 0.90 | CYP2D6 (0.46) | CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL2671959 | 0.88 | CYP2D6 (0.50) | CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL16265325 | 0.85 | RARB (0.41) | CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL20647403 | 0.83 | PDK2 (0.37) | ATP4AATP4B | |
| SCHEMBL22238939 | 0.83 | RAB9A (0.51) | CYP2D6CYP1A2CYP3A4MAPTRAB9A | |
| SCHEMBL18417228 | 0.82 | CYP3A4 (0.43) | CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL16265326 | 0.82 | AHR (0.38) | CYP1A2CYP2C9CYP2C19ATP4AATP4B | |
| SCHEMBL19369162 | 0.81 | ESR2 (0.46) | — | |
| SCHEMBL22299384 | 0.81 | RARA (0.36) | CYP2D6CYP1A2CYP3A4CYP19A1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10723950-B2 | Liquid-crystalline mixtures | MERCK PATENT GMBH (DE) | 2020-07-28 | — | — | US | disclosed |
| US-20190016955-A1 | LIQUID-CRYSTALLINE MIXTURES | MERCK PATENT GMBH (DE) | 2019-01-17 | — | — | US | disclosed |