Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 3/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25756855 | 1.00 | ALDH1A1 (0.53) | ALDH1A1POLBMAPTKDM4ECYP1A2 | |
| SCHEMBL6791446 | 0.95 | ALDH1A1 (0.55) | ALDH1A1POLBMAPTPDE7AHTT | |
| SCHEMBL2791323 | 0.90 | ALDH1A1 (0.51) | ALDH1A1POLBMAPTPDE7AHTT | |
| SCHEMBL498047 | 0.88 | ALDH1A1 (0.42) | ALDH1A1POLBMAPTCYP3A4PDE7A | |
| SCHEMBL25756941 | 0.87 | ALDH1A1 (0.42) | ALDH1A1POLBMAPTCYP1A2PDE7A | |
| SCHEMBL25756864 | 0.83 | ALDH1A1 (0.42) | ALDH1A1POLBMAPTKDM4EHTT | |
| SCHEMBL1407841 | 0.76 | ALDH1A1 (0.43) | ALDH1A1POLBMAPTCYP1A2CYP2C9 | |
| SCHEMBL6785061 | 0.76 | ALDH1A1 (0.46) | ALDH1A1MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL17274316 | 0.74 | CYP3A4 (0.58) | ALDH1A1MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL13520587 | 0.73 | PTPN2 (0.49) | ALDH1A1POLBMAPTKDM4ECYP1A2 |
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 |