Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1016308 | 0.89 | NR1H2 (0.47) | S1PR1HPGDNR1H2ALDH1A1GAA | |
| SCHEMBL7708931 | 0.81 | NR1H2 (0.46) | NR1H2ALDH1A1GAAMAPTEPHX2 | |
| SCHEMBL26460616 | 0.80 | GAA (0.55) | S1PR1HPGDNR1H2HDAC1ALDH1A1 | |
| SCHEMBL12525379 | 0.78 | TSHR (0.41) | ALDH1A1GAAKDM4EMAPTHSD17B10 | |
| SCHEMBL498104 | 0.78 | S1PR1 (0.50) | S1PR1HPGDNR1H2ALDH1A1GAA | |
| SCHEMBL23465487 | 0.76 | NR1H2 (0.42) | S1PR1NR1H2HDAC6GAAEPHX2 | |
| SCHEMBL5113092 | 0.76 | CYP4F2 (0.47) | NR1H2ALDH1A1GAAEPHX2MEN1 | |
| SCHEMBL2795028 | 0.76 | GAA (0.47) | S1PR1HPGDNR1H2HDAC1ALDH1A1 | |
| SCHEMBL30759054 | 0.75 | HPGD (0.40) | HPGDALDH1A1GAAKDM4EMAPT | |
| SCHEMBL11798096 | 0.74 | NR1H2 (0.50) | S1PR1HPGDNR1H2ALDH1A1GAA |
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-2023119334-A1 | ANTI-CANCER COMPOUND BY COMBINING PONATINIB MOLECULE WITH HDAC INHIBITOR MOLECULE USING A VARIABLE LENGTH LINKER | AMRITA VISHWA VIDYAPEETHAM (IN) | 2023-06-29 | — | — | WO | disclosed |