Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.52 |
| ▸ | NOS1 | P29475 | 1/20 | 0.52 |
| ▸ | NOS2 | P35228 | 1/20 | 0.52 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | RIOK2 | Q9BVS4 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 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 | |
|---|---|---|---|---|
| SCHEMBL6510156 | 0.85 | NOS2 (0.36) | NOS3NOS1NOS2MEN1KMT2A | |
| SCHEMBL6507963 | 0.82 | LNPEP (0.39) | NOS3NOS1NOS2PKMMEN1 | |
| SCHEMBL6504469 | 0.80 | LNPEP (0.43) | ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E | |
| SCHEMBL6161272 | 0.80 | NOS3 (0.52) | NOS3NOS1NOS2SMYD3RIOK2 | |
| SCHEMBL3302943 | 0.80 | NOS3 (0.52) | NOS3NOS1NOS2CYP1A2CYP2A6 | |
| SCHEMBL30640985 | 0.80 | NOS3 (0.52) | NOS3NOS1NOS2CYP1A2CYP2A6 | |
| SCHEMBL7471402 | 0.79 | LNPEP (0.43) | ALDH1A1LMNAL3MBTL1KDM4E | |
| SCHEMBL10038829 | 0.78 | NOS3 (0.50) | NOS3NOS1NOS2SMYD3RIOK2 | |
| SCHEMBL7472832 | 0.74 | CA2 (0.35) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL23015786 | 0.74 | NOS3 (0.46) | NOS3NOS1NOS2SMYD3RIOK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |