Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.41 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3334093 | 0.91 | EPHX2 (0.51) | PARP1EPHX2HTR2CHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL8703350 | 0.90 | EPHX2 (0.50) | PARP1EPHX2HTR2CHTR3EHTR3B | |
| Water SCHEMBL8415043 | 0.90 | EPHX2 (0.50) | PARP1EPHX2HTR2CHTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL9076651 | 0.89 | PARP1 (0.49) | PARP1EPHX2HTR2CHTR3EHTR3B | |
| SCHEMBL9640454 | 0.85 | PARP1 (0.45) | PARP1HTR6HTR1A | |
| E1501 SCHEMBL9639366 | 0.84 | PARP1 (0.46) | PARP1HTR6HTR1AALDH1A1 | |
| SCHEMBL10776859 | 0.84 | CYP1A2 (0.56) | PARP1HTR6ALDH1A1MAPT | |
| SCHEMBL9640078 | 0.83 | PARP1 (0.47) | PARP1EPHX2CHIAHTR3EHTR3B | |
| SCHEMBL9640631 | 0.81 | PARP1 (0.53) | PARP1CHIAALDH1A1 | |
| Propionic Acid SCHEMBL9640459 | 0.81 | HTR3E (0.52) | PARP1CHIAHTR2CHTR3EHTR3B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0496746-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1992-08-05 | — | — | EP | disclosed |