Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.61 |
| ▸ | CA7 | P43166 | 4/20 | 0.61 |
| ▸ | CA9 | Q16790 | 4/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.61 |
| ▸ | CA1 | P00915 | 3/20 | 0.61 |
| ▸ | CA4 | P22748 | 3/20 | 0.61 |
| ▸ | CA6 | P23280 | 3/20 | 0.61 |
| ▸ | CA5A | P35218 | 3/20 | 0.61 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.61 |
| ▸ | MET | P08581 | 1/20 | 0.61 |
| ▸ | AKR1B10 | O60218 | 5/20 | 0.58 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4580984 | 0.93 | CA12 (0.72) | CA12CA7CA9CA14CA1 | |
| SCHEMBL20090793 | 0.93 | TSHR (0.61) | CA12CA7CA9CA14CA1 | |
| SCHEMBL6395001 | 0.93 | CA12 (0.72) | CA12CA7CA9CA14CA1 | |
| SCHEMBL8149982 | 0.92 | CA12 (0.54) | CA12CA7CA9CA14CA1 | |
| SCHEMBL20090794 | 0.92 | CA12 (0.54) | CA12CA7CA9CA14CA1 | |
| SCHEMBL843435 | 0.91 | AKR1B10 (0.71) | CA12CA7CA9CA14CA1 | |
| SCHEMBL843436 | 0.91 | AKR1B10 (0.71) | CA12CA7CA9CA14CA1 | |
| SCHEMBL8148439 | 0.89 | LMNA (0.68) | CA12CA7CA9CA14CA1 | |
| SCHEMBL20090815 | 0.88 | KDM4E (0.54) | CA12CA7CA9CA14CA1 | |
| SCHEMBL8148917 | 0.88 | CYP1A2 (0.55) | CA12CA7CA9CA14CA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3529332-B1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2020-11-25 | — | — | EP | disclosed |
| EP-3529333-B1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2020-11-25 | — | — | EP | disclosed |
| US-20190264105-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2019-08-29 | — | — | US | disclosed |
| WO-2019154740-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2019-08-15 | — | — | WO | disclosed |
| US-20190241808-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2019-08-08 | — | — | US | disclosed |
| WO-2018073158-A1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2018-04-26 | — | — | WO | disclosed |
| WO-2018073159-A2 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2018-04-26 | — | — | WO | disclosed |