Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | F2R | P25116 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 3/20 | 0.30 |
| ▸ | DRD2 | P14416 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28113244 | 0.83 | GSK3B (0.39) | GSK3BADRA1AMAPTCYP1A2CYP2D6 | |
| SCHEMBL27486340 | 0.81 | LMNA (0.42) | TRPA1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27485011 | 0.79 | IDO1 (0.39) | TRPA1ADRA1AKMT2A | |
| SCHEMBL6815992 | 0.79 | TRPA1 (0.39) | TRPA1F2RGSK3BPKMMAPT | |
| SCHEMBL6815999 | 0.79 | TRPA1 (0.39) | TRPA1F2RGSK3BPKMMAPT | |
| SCHEMBL27520135 | 0.78 | SLC6A4 (0.52) | TRPA1GSK3BADRA1ASLC6A4MAPT | |
| SCHEMBL27554247 | 0.77 | ADRA1A (0.44) | F2RGSK3BADRA1AMAPTKMT2A | |
| SCHEMBL6811236 | 0.73 | TRPA1 (0.49) | TRPA1GSK3BHTR2AHTR2CSLC6A4 | |
| SCHEMBL5952920 | 0.71 | F2R (0.48) | F2RPKMMAPTALDH1A1LMNA | |
| SCHEMBL28113201 | 0.71 | DRD2 (0.48) | PKMDRD4DRD2MEN1GAA |
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-106083686-A | The method that α bromoacetophenone oxime ether synthesizes 2,4 diaryl pyrrole compounds | 苏州大学 | 2016-11-09 | — | — | CN | disclosed |
| 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-1332725-A | Thiourea inhibitors of herpes viruses | AMERICAN HOME PROD (US) | 2002-01-23 | — | — | 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 |