Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | SLC22A12 | Q96S37 | 7/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27893618 | 0.74 | PARP1 (0.48) | PARP1SLC22A12L3MBTL1CYP2C19MTNR1A | |
| SCHEMBL256379 | 0.74 | PARP1 (0.50) | PARP1SLC22A12L3MBTL1CYP2C19CDC7 | |
| SCHEMBL29845529 | 0.74 | PARP1 (0.50) | PARP1SLC22A12L3MBTL1CYP2C19CDC7 | |
| SCHEMBL30064732 | 0.73 | MTNR1A (0.51) | PARP1SLC22A12L3MBTL1CYP2C19CDC7 | |
| Bromide SCHEMBL28427695 | 0.72 | PARP1 (0.49) | PARP1SLC22A12L3MBTL1CYP2C19CDC7 | |
| SCHEMBL3633175 | 0.72 | PARP1 (0.46) | PARP1SLC22A12L3MBTL1CYP2C19MTNR1A | |
| SCHEMBL14239366 | 0.71 | TP53 (0.39) | PARP1CYP2C19CDC7CDK2TP53 | |
| SCHEMBL1883096 | 0.70 | PARP1 (0.44) | PARP1SLC22A12L3MBTL1CYP2C19CDC7 | |
| SCHEMBL14236833 | 0.69 | PARP1 (0.50) | PARP1SLC22A12L3MBTL1CYP2C19CDC7 | |
| SCHEMBL12146970 | 0.69 | PARP1 (0.50) | PARP1SLC22A12L3MBTL1CYP2C19CDC7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111065393-A | Pyrrolopyridine-anilines for the treatment of skin diseases | 恩福莱克逊治疗有限公司 | 2020-04-24 | — | — | CN | disclosed |
| CN-110036004-A | Inhibitors of cyclin dependent kinase 7(CDK7) | 希洛斯医药品股份有限公司 | 2019-07-19 | — | — | CN | disclosed |
| US-9593108-B2 | Compounds and methods for antiviral treatment | PTC THERAPEUTICS, INC. (US) | 2017-03-14 | — | — | US | disclosed |
| EP-1885723-A2 | PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | PLEXXIKON, INC. (US) | 2008-02-13 | — | — | EP | disclosed |
| WO-2007013896-A2 | PYRROL (2,3-B) PYRIDINE DERIVATIVES PROTEIN KINASE INHIBITORS | PLEXXIKON, INC. (US) | 2007-02-01 | — | — | WO | disclosed |