Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 0.37 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23821525 | 0.96 | PIM1 (0.37) | CA12CA1CA2CA9HCRTR1 | |
| SCHEMBL23821931 | 0.95 | ALDH1A1 (0.40) | CA12CA1CA2CA9HCRTR1 | |
| SCHEMBL23819410 | 0.95 | ALDH1A1 (0.40) | CA12CA1CA2CA9HCRTR1 | |
| SCHEMBL23820185 | 0.95 | ALDH1A1 (0.40) | CA12CA1CA2CA9HCRTR1 | |
| SCHEMBL23819413 | 0.95 | ALDH1A1 (0.40) | CA12CA1CA2CA9HCRTR1 | |
| SCHEMBL23821749 | 0.95 | ALDH1A1 (0.40) | CA12CA1CA2CA9HCRTR1 | |
| SCHEMBL23822720 | 0.94 | ALDH1A1 (0.40) | CA12CA1CA2CA9HCRTR1 | |
| SCHEMBL24656741 | 0.94 | CA12 (0.39) | CA12CA1CA2CA9TDP1 | |
| SCHEMBL23819595 | 0.94 | HCRTR1 (0.41) | HCRTR1TDP1L3MBTL1PIM1ALDH1A1 | |
| SCHEMBL25504333 | 0.93 | TDP1 (0.37) | CA12CA1CA2CA9HCRTR1 |
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-2021182833-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2021-09-16 | — | — | WO | disclosed |