Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.35 |
| ▸ | KDM4B | O94953 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7032511 | 0.78 | PARP1 (0.47) | PARP1ALDH1A1PKM | |
| SCHEMBL7031817 | 0.75 | PARP1 (0.43) | PARP1ALDH1A1KDM4E | |
| SCHEMBL31693421 | 0.71 | HTR2A (0.47) | PARP1ALDH1A1PKMHTR2CHTR1A | |
| SCHEMBL29907275 | 0.70 | PARP1 (0.43) | PARP1ALDH1A1PKM | |
| SCHEMBL27146952 | 0.70 | PARP1 (0.43) | PARP1ALDH1A1PKM | |
| SCHEMBL29337474 | 0.69 | PARP1 (0.40) | PARP1ALDH1A1PKM | |
| SCHEMBL29907247 | 0.69 | BRD4 (0.42) | PARP1ALDH1A1PKMHTR2CHTR1A | |
| SCHEMBL27143088 | 0.69 | BRD4 (0.42) | PARP1ALDH1A1PKMHTR2CHTR1A | |
| SCHEMBL27644639 | 0.69 | PARP1 (0.43) | PARP1CYP2C19 | |
| SCHEMBL2128520 | 0.68 | PARP1 (0.64) | PARP1 |
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-2010110686-A1 | PYRIMIDINYL AND 1,3,5 TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY | PATHWAY THERAPEUTICS LIMITED (NZ) | 2010-09-30 | — | — | WO | disclosed |