Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CD74 | P04233 | 1/20 | 0.45 |
| ▸ | MIF | P14174 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.44 |
| ▸ | KMO | O15229 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | UNG | P13051 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KDM6B | O15054 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL28064664 | 0.98 | CA12 (0.44) | CA12CA1CA2CA6CA9 | |
| Isophthalic Acid SCHEMBL28119902 | 0.91 | TP53 (0.47) | CA12CA1CA2CA6CA9 | |
| Benzoic Acid SCHEMBL17495601 | 0.89 | NAPRT (0.54) | AKR1C3KDM4CKDM4EKDM6BKDM4A | |
| SCHEMBL28012220 | 0.89 | ALOX15 (0.40) | CA12CA1CA2CA6CA9 | |
| SCHEMBL28005922 | 0.87 | ALOX15 (0.39) | CA12CA1CA2CA6CA9 | |
| Terephthalic Acid SCHEMBL27990724 | 0.85 | TSHR (0.50) | CA12CA1CA2CA6CA9 | |
| Naphthalene SCHEMBL28012217 | 0.85 | MEN1 (0.40) | CA12KDM4CHPGDHSD17B10KDM4E | |
| SCHEMBL25170812 | 0.84 | PARP1 (0.47) | HSD17B10TSHR | |
| Terephthalic Acid SCHEMBL28044877 | 0.83 | TSHR (0.48) | CA12CA1CA2CA6CA9 | |
| Terephthalic Acid SCHEMBL28065968 | 0.83 | TSHR (0.48) | CA12CA1CA2CA6CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106317127-A | Anthracene ring bis(triazole) isophthalic acid two-dimensional cobalt complex single crystal with hydrogen adsorption property and application | 天津师范大学 | 2017-01-11 | — | — | CN | disclosed |
| CN-106317127-A | Anthracene ring bis(triazole) isophthalic acid two-dimensional cobalt complex single crystal with hydrogen adsorption property and application | 天津师范大学 | 2017-01-11 | — | — | CN | disclosed |
| CN-105418656-A | Anthracene nucleus di-triazole isophthalic acid included diethyl formamide cadmium complex single crystal and application | UNIV TIANJIN | 2016-03-23 | — | — | CN | disclosed |
| CN-105418656-A | Anthracene nucleus di-triazole isophthalic acid included diethyl formamide cadmium complex single crystal and application | UNIV TIANJIN | 2016-03-23 | — | — | CN | disclosed |