Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | PDE9A | O76083 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL18418560 | 0.93 | S1PR1 (0.38) | CYP2C19S1PR1S1PR3MAPTRARB | |
| SCHEMBL22238934 | 0.90 | CYP2C19 (0.35) | MMP3MMP2CASP3SENP8SENP7 | |
| SCHEMBL18418561 | 0.89 | RARB (0.39) | MMP3MMP2S1PR1S1PR3ALDH1A1 | |
| SCHEMBL22238933 | 0.88 | CASP3 (0.41) | CASP3SENP8SENP7SENP6MAOB | |
| SCHEMBL25070373 | 0.86 | HTR1A (0.33) | RARBAKR1C3AKR1C2ALOX5 | |
| SCHEMBL19636613 | 0.85 | RARB (0.36) | MMP3MMP2S1PR1S1PR3RARB | |
| SCHEMBL22241055 | 0.85 | CYP2C19 (0.39) | MAOBAPPCYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL22299264 | 0.84 | RARB (0.36) | MMP3MMP2S1PR1S1PR3RARB | |
| SCHEMBL19119878 | 0.83 | RARA (0.36) | S1PR1S1PR3MAPTRARB | |
| SCHEMBL21608681 | 0.83 | RARB (0.30) | RARB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458549-B1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2020-07-22 | — | — | EP | disclosed |
| EP-3129829-B1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2019-10-30 | — | — | EP | disclosed |
| WO-2017198637-A1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2017-11-23 | — | — | WO | disclosed |