Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1413261 | 0.79 | PARP1 (0.66) | PARP1RXFP1 | |
| SCHEMBL1413262 | 0.79 | PARP1 (0.66) | PARP1RXFP1 | |
| SCHEMBL30831905 | 0.79 | PARP1 (0.66) | PARP1RXFP1 | |
| SCHEMBL2884811 | 0.73 | PARP1 (0.56) | PARP1ADORA2AADORA1DPP4POLB | |
| SCHEMBL630485 | 0.72 | PARP1 (1.00) | PARP1 | |
| SCHEMBL18225573 | 0.72 | PARP1 (0.70) | PARP1RXFP1 | |
| Hydrochloric Acid SCHEMBL7358627 | 0.71 | PARP1 (0.97) | PARP1 | |
| SCHEMBL18249353 | 0.69 | PARP1 (0.51) | PARP1 | |
| Dimethylamine SCHEMBL4766995 | 0.67 | PARP1 (0.50) | PARP1ADORA2AADORA1 | |
| SCHEMBL453514 | 0.67 | PARP1 (0.72) | PARP1RXFP1 |
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-1210336-A1 | SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE | THE UNITED STATES OF AMERICA, as represented by the Secretary of the Department of Health and Human Services (US) | 2002-06-05 | — | — | EP | disclosed |
| WO-2001014343-A1 | SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2001-03-01 | — | — | WO | disclosed |