Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL442133 | 0.83 | BACE1 (0.41) | HAVCR2CYP1A2ALDH1A1MEN1APAF1 | |
| SCHEMBL441951 | 0.79 | HAVCR2 (0.58) | PARP1HAVCR2SMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL441701 | 0.79 | ALDH1A1 (0.43) | PARP1HAVCR2SMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL437507 | 0.79 | MAP4K4 (0.35) | TET2ALOX5APFEN1 | |
| SCHEMBL441422 | 0.79 | HAVCR2 (0.46) | PARP1HAVCR2SMN1; SMN2GRM5 | |
| SCHEMBL440370 | 0.78 | PARP1 (0.45) | PARP1 | |
| SCHEMBL23126271 | 0.75 | PARP1 (0.41) | PARP1HAVCR2SMN1; SMN2CYP3A4GRM5 | |
| SCHEMBL439456 | 0.75 | CDK8 (0.33) | TET2ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL435849 | 0.75 | HTR1A (0.44) | CYP3A4 | |
| SCHEMBL437613 | 0.75 | GABRA1 (0.41) | PARP1HAVCR2ALDH1A1MEN1APAF1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120065166-A1 | Bone Modulators And Methods Therewith | ESPINA VIRGINIA (US) | 2012-03-15 | — | — | US | disclosed |