Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | UBE2N | P61088 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL17864553 | 0.83 | RARA (0.39) | CA12CA1CA9CYP2C9CYP2C19 | |
| SCHEMBL29394908 | 0.83 | RARA (0.39) | CA12CA1CA9CYP2C9CYP2C19 | |
| SCHEMBL17864632 | 0.77 | MCL1 (0.46) | L3MBTL1KDM4EHSD17B10HPGDKMT2A | |
| SCHEMBL23691678 | 0.70 | RARA (0.36) | THRBMAPTTP53 | |
| SCHEMBL12867871 | 0.70 | MAPT (0.38) | CA12CA1CA9CYP2C9CYP2C19 | |
| SCHEMBL19583312 | 0.68 | CISD2 (0.35) | L3MBTL1THRBMAPTTP53AR | |
| SCHEMBL22835128 | 0.67 | HDAC4 (0.44) | CA12CA1CA9CYP2C19NPSR1 | |
| SCHEMBL5655693 | 0.66 | KDM4E (0.45) | CA12CA1CA9NPSR1L3MBTL1 | |
| SCHEMBL3977133 | 0.66 | CHRNA4 (0.38) | CA12CA1CA9CYP2C9CYP2C19 | |
| SCHEMBL17864589 | 0.65 | CA12 (0.40) | CA12CA1CA9CYP2C19KDM4E |
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-2016097004-A1 | BICYCLOHETEROARYL-HETEROARYL-BENZOIC ACID COMPOUNDS AS RETINOIC ACID RECEPTOR BETA (RARβ) AGONISTS | KING'S COLLEGE LONDON (GB) | 2016-06-23 | — | — | WO | disclosed |