Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
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 SCHEMBL9755172 | 0.99 | PARP1 (0.51) | PARP1CHIAHRH3KMT2AIDO1 | |
| SCHEMBL9755185 | 0.87 | PARP1 (0.51) | PARP1CHIAKMT2AIDO1MAPK1 | |
| SCHEMBL9639712 | 0.85 | PARP1 (0.46) | PARP1CHIAKMT2AMAPK1 | |
| SCHEMBL9640631 | 0.81 | PARP1 (0.53) | PARP1CHIAKMT2AMAPK1 | |
| SCHEMBL9639396 | 0.80 | PARP1 (0.48) | PARP1CHIAKMT2A | |
| SCHEMBL9771687 | 0.77 | PARP1 (0.53) | PARP1CHIAKMT2ATRPV1 | |
| Propionic Acid SCHEMBL9640910 | 0.77 | PARP1 (0.53) | PARP1CHIA | |
| Butyric Acid SCHEMBL9640083 | 0.77 | PARP1 (0.50) | PARP1CHIAKMT2AIDO1MAPK1 | |
| SCHEMBL8709483 | 0.77 | HSD11B1 (0.51) | PARP1CHIAMAPK1 | |
| Acetic Acid SCHEMBL9639371 | 0.77 | HTR3E (0.53) | PARP1KMT2AMAPK1 |
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 |