Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.32 |
| ▸ | PPARA | Q07869 | 3/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL19119902 | 0.97 | RARA (0.36) | RARARARBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18418543 | 0.91 | RARA (0.36) | RARARARBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21537529 | 0.90 | APP (0.34) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19119557 | 0.90 | RARA (0.35) | RARARARBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17176870 | 0.90 | RARA (0.37) | RARARARBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20900687 | 0.89 | RARA (0.37) | RARARARBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19119878 | 0.87 | RARA (0.36) | RARARARBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18418549 | 0.87 | RARA (0.36) | RARARARBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL20975632 | 0.85 | RARA (0.35) | RARARARBCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16265325 | 0.85 | RARB (0.41) | RARARARBCYP1A2CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10260001-B2 | Liquid crystal material | MERCK PATENT GMBH (DE) | 2019-04-16 | — | — | US | disclosed |
| US-20170029702-A1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-02-02 | — | — | US | disclosed |
| US-20170029702-A1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-02-02 | — | — | US | disclosed |