Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | CTSG | P08311 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2155208 | 0.76 | CYP3A4 (0.41) | TDP1CYP3A4ALDH1A1ESR1ESR2 | |
| SCHEMBL20875707 | 0.74 | CYP3A4 (0.45) | TDP1CYP3A4ALDH1A1TRPA1MAPK1 | |
| SCHEMBL28443365 | 0.74 | TSHR (0.40) | TDP1CYP3A4ALDH1A1TRPA1TSHR | |
| SCHEMBL5572991 | 0.72 | TDP1 (0.38) | TDP1CYP3A4ESR1ESR2KMT2A | |
| Methylene Chloride SCHEMBL958149 | 0.71 | CYP3A4 (0.75) | TDP1CYP3A4ALDH1A1TRPA1MAPK1 | |
| SCHEMBL11050994 | 0.71 | — | — | |
| SCHEMBL20377375 | 0.70 | TDP1 (0.36) | TDP1CYP3A4ALDH1A1ESR1ESR2 | |
| SCHEMBL2154339 | 0.70 | POLB (0.36) | TDP1CYP3A4ALDH1A1MAPK1HIF1A | |
| SCHEMBL2163227 | 0.70 | CYP3A4 (0.36) | TDP1CYP3A4ALDH1A1HTTTSHR | |
| SCHEMBL14315744 | 0.70 | CYP3A4 (0.41) | TDP1CYP3A4ALDH1A1TRPA1MAPK1 |
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-100434079-C | Pyrazine nucleotide/pyrazine nucleoside analogue and medical application thereof | FUJIYAMA CHEMICAL IND CO LTD (JP) | 2008-11-19 | — | — | CN | disclosed |
| CN-1551777-A | Novel virus proliferaton inhibition/virucidal method and novel pyradine nucleotide/pyradine nucleoside analogue | 富山化学工业株式会社 | 2004-12-01 | — | — | CN | disclosed |