Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 6/20 | 0.36 |
| ▸ | MGAM | O43451 | 5/20 | 0.36 |
| ▸ | SI | P14410 | 5/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 5/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL91910 | 0.91 | ADORA3 (0.35) | RARARARBGAAMGAMSI | |
| SCHEMBL91835 | 0.87 | RARA (0.36) | RARARARBERN1GAAMGAM | |
| SCHEMBL3624809 | 0.86 | GAA (0.43) | ERN1GAAMGAMSIMGAM2 | |
| SCHEMBL14075505 | 0.80 | FFAR1 (0.35) | RARARARBGAAMAOBADORA3 | |
| SCHEMBL13863862 | 0.79 | CSNK2A1 (0.39) | GAAMGAMSIMGAM2ADORA3 | |
| SCHEMBL13863920 | 0.79 | RARB (0.39) | RARARARBCYP3A4CYP2D6 | |
| SCHEMBL16575404 | 0.78 | ADORA3 (0.51) | ADORA3MAPTMEN1KMT2A | |
| SCHEMBL4415939 | 0.78 | FFAR1 (0.32) | FFAR1 | |
| SCHEMBL91829 | 0.78 | ADORA3 (0.33) | RARARARBGAAMAOBADORA3 | |
| SCHEMBL14050434 | 0.77 | SLC6A9 (0.41) | RARARARBGAAALDH1A1MAPT |
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-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7531106-B2 | Mesogenic compounds, medium for electro-optical displays and electro-optical display | MERCK PATENT GMBH (DE) | 2009-05-12 | — | — | US | disclosed |