Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.64 |
| ▸ | PARP10 | Q53GL7 | 4/20 | 0.64 |
| ▸ | PARP11 | Q9NR21 | 4/20 | 0.64 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29687894 | 0.78 | PARP1 (1.00) | PARP1PARP10PARP11ACHE | |
| SCHEMBL831538 | 0.78 | PARP1 (1.00) | PARP1PARP10PARP11ACHE | |
| SCHEMBL9194197 | 0.77 | PARP1 (0.43) | PARP1CYP19A1HTR7ACHE | |
| SCHEMBL17146123 | 0.72 | PARP1 (0.47) | PARP1PARP10PARP11CYP19A1CYP11B1 | |
| SCHEMBL1031349 | 0.72 | PARP1 (0.56) | PARP1PARP10PARP11NUDT1 | |
| Hydrochloric Acid SCHEMBL2260204 | 0.71 | PARP1 (0.55) | PARP1PARP10PARP11NUDT1ALDH1A1 | |
| SCHEMBL10923036 | 0.69 | PARP10 (0.53) | PARP1PARP10PARP11HTR7NISCH | |
| SCHEMBL88901 | 0.68 | PARP1 (0.59) | PARP1PARP10PARP11 | |
| SCHEMBL9195736 | 0.68 | ACHE (0.66) | PARP1ACHE | |
| SCHEMBL14538076 | 0.64 | PARP1 (0.47) | PARP1PARP10PARP11CYP19A1CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5177075-A | Antitumor agents | WARNER-LAMBERT COMPANY (US) | 1993-01-05 | — | — | US | disclosed |
| EP-0355750-A1 | Substituted dihydroisoquinolinones and related compounds as potentiators of the lethal effects of radiation and certain chemotherapeutic agents; selected compounds, analogs and process | WARNER-LAMBERT COMPANY (US) | 1990-02-28 | — | — | EP | disclosed |