Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.30 |
| ▸ | NQO2 | P16083 | 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 | |
|---|---|---|---|---|
| SCHEMBL2542665 | 0.82 | MEN1 (0.41) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7719846 | 0.79 | BCAT2 (0.38) | LOXDRD2BCAT2 | |
| SCHEMBL5545192 | 0.74 | DRD2 (0.33) | LOXDRD2BCAT2 | |
| SCHEMBL7145103 | 0.71 | ADRA1D (0.39) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL626718 | 0.69 | MYC (0.44) | CYP1A2CYP2D6CTSB | |
| SCHEMBL31672192 | 0.69 | GAA (0.46) | CYP3A4LOXBCAT2 | |
| SCHEMBL7211351 | 0.69 | GAA (0.46) | CYP3A4LOXBCAT2 | |
| SCHEMBL2024322 | 0.69 | CTSB (0.53) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL23536733 | 0.68 | GABRA1 (0.41) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11124962 | 0.68 | MYC (0.43) | CYP1A2CYP2D6CTSB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0711775-A1 | 1,2,4-triazole alkylation | ROHM AND HAAS COMPANY (US) | 1996-05-15 | — | — | EP | disclosed |
| US-5510493-A | Process for alkylation with triazoles | ROHM AND HAAS COMPANY (US) | 1996-04-23 | — | — | US | disclosed |
| US-5192783-A | Fungicides for plants | ROHM AND HAAS COMPANY (US) | 1993-03-09 | — | — | US | disclosed |
| US-4366165-A | 1 and 4-Arylcyanoalkyl-1,2,4-triazoles and fungicidal use | ROHM AND HAAS COMPANY (US) | 1982-12-28 | — | — | US | disclosed |