Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 6/20 | 0.51 |
| ▸ | EGFR | P00533 | 3/20 | 0.42 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.40 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27668287 | 0.98 | TRPA1 (0.50) | TRPA1EGFRPTPN5CYP1A2S1PR2 | |
| SCHEMBL4966922 | 0.88 | TRPA1 (0.53) | TRPA1PTPN5CYP1A2MAPTRAPGEF4 | |
| SCHEMBL7868346 | 0.85 | TRPA1 (0.47) | TRPA1EGFRPTPN5CYP1A2IDH1 | |
| SCHEMBL3959091 | 0.81 | RAPGEF4 (0.40) | TRPA1CYP1A2PPARAMAPTRAPGEF4 | |
| SCHEMBL10104509 | 0.81 | RAPGEF4 (0.49) | TRPA1PTPN5CYP1A2MAPTRAPGEF4 | |
| SCHEMBL22312230 | 0.79 | RAPGEF4 (0.53) | TRPA1PTPN5CYP1A2HDAC3HDAC1 | |
| SCHEMBL21571898 | 0.78 | EGFR (0.40) | TRPA1EGFRS1PR2HDAC3HDAC1 | |
| SCHEMBL7944387 | 0.78 | KIF11 (0.45) | EGFRS1PR2HDAC3HDAC1HDAC2 | |
| SCHEMBL21571897 | 0.77 | EGFR (0.40) | TRPA1EGFRCYP1A2S1PR2SMYD2 | |
| SCHEMBL8168077 | 0.77 | DHFR (0.46) | TRPA1PTPN5HDAC3HDAC1HDAC2 |
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-1165531-C | Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups | — | 2004-09-08 | — | — | CN | disclosed |
| CN-1367785-A | Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups | AMERICAN HOME PROD (US) | 2002-09-04 | — | — | CN | disclosed |
| CN-1348446-A | Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups | AMERICAN HOME PROD (US) | 2002-05-08 | — | — | CN | disclosed |
| CN-1335843-A | Thiourea inhibitors of herpes viruses | AMERICAN HOME PROD (US) | 2002-02-13 | — | — | CN | disclosed |
| CN-1333769-A | Thiourea inhibitors of herps viruses | AMERICAN HOME PROD (US) | 2002-01-30 | — | — | CN | disclosed |
| CN-1333750-A | Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses | AMERICAN HOME PROD (US) | 2002-01-30 | — | — | CN | disclosed |
| CN-1329608-A | Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group | AMERICAN HOME PROD (US) | 2002-01-02 | — | — | CN | disclosed |
| EP-1137647-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000034268-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |