Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PCNA | P12004 | 1/20 | 0.43 |
| ▸ | LIG1 | P18858 | 1/20 | 0.43 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.33 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | SCN4A | P35499 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28035205 | 1.00 | PCNA (0.43) | PCNALIG1SHBGESR1ESR2 | |
| SCHEMBL1755280 | 0.86 | PCNA (0.43) | PCNALIG1ESR1ESR2THRA | |
| SCHEMBL14478200 | 0.81 | TAAR1 (0.47) | TAAR1SLC6A2 | |
| SCHEMBL30123655 | 0.80 | PCNA (0.46) | PCNALIG1THRATHRBNR3C1 | |
| SCHEMBL1702318 | 0.80 | PCNA (0.46) | PCNALIG1THRATHRBNR3C1 | |
| SCHEMBL22563604 | 0.80 | PCNA (0.46) | PCNALIG1THRATHRBNR3C1 | |
| Bromide SCHEMBL11693753 | 0.77 | PCNA (0.42) | PCNALIG1ESR1NR3C1PGR | |
| SCHEMBL25180570 | 0.76 | SLC7A5 (0.58) | PCNATHRATHRBNR3C1PGR | |
| SCHEMBL13957567 | 0.76 | SLC7A5 (0.58) | PCNATHRATHRBNR3C1PGR | |
| SCHEMBL16124486 | 0.76 | PCNA (0.58) | PCNALIG1THRATHRBNR3C1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104974052-A | Tetrahydroisoquinoline compound intermediate, and preparation method and application thereof | SHENZHEN NEPTUNUS INTERLONG BIO TECH CO LTD | 2015-10-14 | — | — | CN | disclosed |
| WO-2007045686-A2 | INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDIN SUCH AS ECTEINASCIDINES-583, 597 USING SUCH INTERMEDIATE | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2007-04-26 | — | — | WO | disclosed |