Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.35 |
| ▸ | HTR7 | P34969 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.34 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9951122 | 0.88 | PARP1 (0.42) | PARP1CHRM4DRD2HTR7POLB | |
| SCHEMBL9950532 | 0.80 | PARP1 (0.38) | PARP1SERPINE1HSD11B1 | |
| SCHEMBL9951125 | 0.75 | TSHR (0.34) | CHRM4DRD2HTR7POLBSLC18A3 | |
| SCHEMBL10123732 | 0.72 | PARP1 (0.41) | PARP1CHRM4DRD2HSD11B1 | |
| SCHEMBL10123738 | 0.71 | PARP1 (0.41) | PARP1CHRM4HSD11B1 | |
| SCHEMBL27989542 | 0.70 | MTNR1A (0.40) | PARP1 | |
| SCHEMBL9976868 | 0.69 | POLB (0.55) | CHRM4DRD2HTR7POLBSLC18A3 | |
| SCHEMBL3054307 | 0.68 | HTR2A (0.50) | — | |
| SCHEMBL2397570 | 0.67 | PARP1 (0.48) | PARP1POLBSERPINE1 | |
| SCHEMBL28001937 | 0.66 | CNR2 (0.48) | CHRM4DRD2HTR7POLBSLC18A3 |
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-2655372-B1 | PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME | ARQULE INC (US) | 2016-03-16 | — | — | EP | disclosed |
| EP-2655372-A2 | PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME | ArQule, Inc. (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012088491-A2 | PYRROLOQUINOLINYL-PYRROLIDINE-2,5-DIONE COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME | ARQULE, INC. (US) | 2012-06-28 | — | — | WO | disclosed |