Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | NEK2 | P51955 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL654348 | 0.83 | HTR2A (0.35) | SIGMAR1HTR6ALDH1A1HSD17B10MAPT | |
| SCHEMBL1695160 | 0.82 | SHMT2 (0.37) | TP53SIGMAR1HTR6ALDH1A1HSD17B10 | |
| SCHEMBL798809 | 0.71 | GAA (0.39) | ALDH1A1GAAMAPTKDM4ELMNA | |
| SCHEMBL798970 | 0.69 | DHFR (0.42) | TP53ALDH1A1KDM4ELMNAHPGD | |
| SCHEMBL654025 | 0.65 | HTR2A (0.35) | SIGMAR1HTR6ALDH1A1HSD17B10MAPT | |
| Cyclohexane SCHEMBL28743392 | 0.57 | HPGD (0.61) | SIGMAR1ALDH1A1HSD17B10MAPTKDM4E | |
| Cyclohexane SCHEMBL27520153 | 0.57 | HPGD (0.61) | SIGMAR1ALDH1A1HSD17B10MAPTKDM4E | |
| Cyclopentane SCHEMBL27521437 | 0.57 | HPGD (0.61) | SIGMAR1ALDH1A1HSD17B10MAPTKDM4E | |
| Cyclopentane SCHEMBL27521514 | 0.57 | HPGD (0.61) | SIGMAR1ALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL4775990 | 0.57 | POLB (0.55) | ALDH1A1KDM4EHPGDMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616077-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2013-07-24 | — | — | EP | disclosed |
| EP-2575969-A1 | ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2013-04-10 | — | — | EP | disclosed |
| WO-2012035423-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-03-22 | — | — | WO | disclosed |
| WO-2011147753-A1 | ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) | 2011-12-01 | — | — | WO | disclosed |