Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9640899 | 0.80 | PARP1 (0.52) | PARP1CHIAMEN1KMT2APOLB | |
| Hydrochloric Acid SCHEMBL9755174 | 0.79 | PARP1 (0.51) | PARP1CHIAMEN1KMT2APOLB | |
| SCHEMBL9755187 | 0.78 | PARP1 (0.50) | PARP1CHIAMEN1KMT2APOLB | |
| SCHEMBL9225056 | 0.76 | PARP1 (0.49) | PARP1CHIAALDH1A1IDO1 | |
| SCHEMBL9639398 | 0.75 | PARP1 (0.48) | PARP1CHIAMEN1KMT2APOLB | |
| SCHEMBL10365748 | 0.75 | HRH3 (0.47) | — | |
| SCHEMBL3334093 | 0.75 | EPHX2 (0.51) | PARP1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9639412 | 0.75 | MAPK1 (0.52) | PARP1CHIAPOLBALDH1A1IDO1 | |
| SCHEMBL9755222 | 0.75 | PARP1 (0.52) | PARP1CHIAHSD11B1MEN1KMT2A | |
| SCHEMBL10365750 | 0.74 | HRH3 (0.48) | — |
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 2 patents. 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 | claimed |
| WO-1991006542-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1991-05-16 | — | — | WO | claimed |