Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 8/20 | 0.59 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | PLEC | Q15149 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | PTGFR | P43088 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29114266 | 0.80 | TTR (0.50) | HCAR3TTRTHRBKDM4EALDH1A1 | |
| SCHEMBL4229654 | 0.79 | GAA (0.61) | HCAR3THRBKDM4EALDH1A1GAA | |
| SCHEMBL29114280 | 0.79 | HCAR3 (0.59) | HCAR3THRBKDM4EALDH1A1GAA | |
| SCHEMBL31473433 | 0.79 | GAA (0.61) | HCAR3THRBKDM4EALDH1A1GAA | |
| SCHEMBL31572042 | 0.79 | HCAR3 (0.59) | HCAR3THRBKDM4EALDH1A1GAA | |
| SCHEMBL2617356 | 0.79 | HCAR3 (0.59) | HCAR3KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL22097623 | 0.77 | HCAR3 (0.56) | HCAR3KDM4EALDH1A1MAPTNPC1 | |
| SCHEMBL11635944 | 0.77 | CA1 (0.57) | TTRTHRBKDM4EALDH1A1GAA | |
| SCHEMBL20604900 | 0.77 | MAPT (0.58) | HCAR3TTRTHRBKDM4EALDH1A1 | |
| SCHEMBL6187233 | 0.76 | HCAR3 (0.55) | HCAR3THRBKDM4EALDH1A1GAA |
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-2021018194-A1 | HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2021-02-04 | — | — | WO | disclosed |