Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22145656 | 0.92 | ALDH1A1 (0.48) | CA12CA1CA2CA6CA7 | |
| SCHEMBL347719 | 0.81 | CA12 (0.54) | CA12CA1CA2CA6CA7 | |
| SCHEMBL16981609 | 0.80 | CA12 (0.43) | CA12CA1CA2CA6CA7 | |
| SCHEMBL19763396 | 0.75 | ALDH1A1 (0.45) | CA12CA1CA2CA6CA7 | |
| SCHEMBL16981581 | 0.75 | CA12 (0.46) | CA12CA1CA2CA6CA7 | |
| SCHEMBL13562244 | 0.74 | CA12 (0.48) | CA12CA1CA2CA6CA7 | |
| SCHEMBL7758792 | 0.73 | KDM4E (0.60) | CA12CA1CA2CA6CA7 | |
| SCHEMBL20402255 | 0.73 | CA12 (0.40) | CA12CA1CA2CA6CA7 | |
| SCHEMBL16981545 | 0.73 | ALDH1A1 (0.47) | CA12CA1CA2CA6CA7 | |
| SCHEMBL16981550 | 0.72 | ALDH2 (0.40) | CA12CA1CA2CA6CA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020127172-A1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME AND COMPOUNDS | MERCK PATENT GMBH (DE) | 2020-06-25 | — | — | WO | disclosed |