Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.40 |
| ▸ | ITGAL | P20701 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Cyanide SCHEMBL28891109 | 0.98 | PARP1 (0.50) | PARP1AHRKDM4ERAB9ASIRT2 | |
| SCHEMBL305400 | 0.92 | PARP1 (0.56) | PARP1AHRKDM4ERAB9ASIRT2 | |
| Bromide SCHEMBL29578396 | 0.90 | PARP1 (0.54) | PARP1AHRKDM4ERAB9ASIRT2 | |
| Iodide SCHEMBL29375711 | 0.90 | PARP1 (0.54) | PARP1AHRKDM4ERAB9ASIRT2 | |
| Ammonia Solution, Strong SCHEMBL30759442 | 0.90 | PARP1 (0.54) | PARP1AHRKDM4ERAB9ASIRT2 | |
| Naphthalene SCHEMBL28275037 | 0.90 | PARP1 (0.54) | PARP1AHRKDM4ERAB9ASIRT2 | |
| Hydrogen Peroxide SCHEMBL30104733 | 0.88 | PARP1 (0.52) | PARP1AHRKDM4ERAB9ASIRT2 | |
| SCHEMBL29467418 | 0.82 | HPRT1 (0.58) | PARP1AHRKDM4ERAB9ASIRT2 | |
| SCHEMBL28733279 | 0.82 | HPRT1 (0.58) | PARP1AHRKDM4ERAB9ASIRT2 | |
| SCHEMBL29379427 | 0.82 | HPRT1 (0.58) | PARP1AHRKDM4ERAB9ASIRT2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109796779-A | A kind of preparation method of seven methines benzindole cyanine dye | 中国科学院宁波材料技术与工程研究所 | 2019-05-24 | — | — | CN | claimed |
| CN-109796780-A | Seven methine benzindole cyanine dyes of one kind and its preparation method and application | 中国科学院宁波材料技术与工程研究所 | 2019-05-24 | — | — | CN | claimed |
| CN-109796779-A | A kind of preparation method of seven methines benzindole cyanine dye | 中国科学院宁波材料技术与工程研究所 | 2019-05-24 | — | — | CN | disclosed |
| CN-109796779-A | A kind of preparation method of seven methines benzindole cyanine dye | 中国科学院宁波材料技术与工程研究所 | 2019-05-24 | — | — | CN | disclosed |
| CN-109796780-A | Seven methine benzindole cyanine dyes of one kind and its preparation method and application | 中国科学院宁波材料技术与工程研究所 | 2019-05-24 | — | — | CN | disclosed |
| CN-109796780-A | Seven methine benzindole cyanine dyes of one kind and its preparation method and application | 中国科学院宁波材料技术与工程研究所 | 2019-05-24 | — | — | CN | disclosed |
| CN-109796780-A | Seven methine benzindole cyanine dyes of one kind and its preparation method and application | 中国科学院宁波材料技术与工程研究所 | 2019-05-24 | — | — | CN | disclosed |