Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | TDP2 | O95551 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23304599 | 0.85 | PARP1 (0.44) | PARP1ALDH1A1TDP2KDM4EHSD17B10 | |
| Hydrochloric Acid SCHEMBL7007714 | 0.83 | PARP1 (0.47) | PARP1ALDH1A1TDP2KDM4EHSD17B10 | |
| SCHEMBL30924717 | 0.82 | HDAC6 (0.42) | PARP1KDM4E | |
| Hydrochloric Acid SCHEMBL7003754 | 0.80 | PARP1 (0.44) | PARP1ALDH1A1CA1CA2CA9 | |
| SCHEMBL7009677 | 0.79 | NPC1 (0.50) | PARP1ALDH1A1HPGDMAPTPOLB | |
| SCHEMBL7004442 | 0.76 | PARP1 (0.42) | PARP1ALDH1A1CA12CA1CA2 | |
| Oxalic Acid SCHEMBL21489558 | 0.75 | PARP1 (0.75) | PARP1ALDH1A1SRD5A2KDM4EMAPT | |
| Oxalic Acid SCHEMBL29882919 | 0.75 | PARP1 (0.75) | PARP1ALDH1A1SRD5A2KDM4EMAPT | |
| SCHEMBL2115451 | 0.75 | PARP1 (0.44) | PARP1ALDH1A1KDM4EHSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL7001774 | 0.74 | PARP1 (0.45) | PARP1ALDH1A1CA12CA1CA2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106831576-A | Preparation method of 2-methyl-1-oxo-1, 2-dihydroisoquinoline-6-formic acid | 北京六合宁远科技有限公司 | 2017-06-13 | — | — | CN | claimed |
| CN-106831576-A | Preparation method of 2-methyl-1-oxo-1, 2-dihydroisoquinoline-6-formic acid | 北京六合宁远科技有限公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-102695708-B | N1-pyrazolospiroketone acetyl-coA carboxylase inhibitors | PFIZER INC. (US) | 2014-10-15 | — | — | CN | disclosed |
| CN-102695708-A | N1-pyrazolospiroketone acetyl-coA carboxylase inhibitors | PFIZER | 2012-09-26 | — | — | CN | disclosed |
| EP-1355886-B1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL (JP) | 2007-07-11 | — | — | EP | disclosed |
| EP-1399444-A2 | NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS | Aventis Pharma S.A. (FR) | 2004-03-24 | — | — | EP | disclosed |
| EP-1355886-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002100860-A2 | HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS | AVENTIS PHARMA S.A. (FR) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002062764-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-08-15 | — | — | WO | disclosed |