Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | P2RY12 | Q9H244 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RBP4 | P02753 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9755174 | 0.99 | PARP1 (0.51) | PARP1CHIAMEN1KMT2AHTR3E | |
| SCHEMBL9755187 | 0.91 | PARP1 (0.50) | PARP1CHIAMEN1KMT2AHTR3E | |
| SCHEMBL9639398 | 0.88 | PARP1 (0.48) | PARP1CHIAMEN1KMT2AHTR3E | |
| SCHEMBL9639375 | 0.86 | PARP1 (0.46) | PARP1CHIAMEN1KMT2AMAPK1 | |
| SCHEMBL9639717 | 0.84 | PARP1 (0.45) | PARP1CHIAMEN1KMT2AMAPK1 | |
| SCHEMBL9755222 | 0.81 | PARP1 (0.52) | PARP1CHIAMEN1KMT2AMAPK1 | |
| SCHEMBL9640606 | 0.80 | PARP1 (0.48) | PARP1CHIAMEN1KMT2AHTR3E | |
| SCHEMBL9639544 | 0.79 | PARP1 (0.50) | PARP1CHIA | |
| SCHEMBL9640631 | 0.78 | PARP1 (0.53) | PARP1CHIAMEN1KMT2AMAPK1 | |
| SCHEMBL9771687 | 0.77 | PARP1 (0.53) | PARP1CHIAMEN1KMT2AHTR3E |
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 3 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 |
| EP-0496746-A1 | PHARMACEUTICALLY ACTIVE AMINO-SUBSTITUTED HETEROARYL AMINES | THE UPJOHN COMPANY (US) | 1992-08-05 | — | — | EP | disclosed |