Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | F2 | P00734 | 2/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.52 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.52 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30455672 | 0.90 | CYP1A2 (0.59) | SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL106811 | 0.86 | KMT2A (0.68) | SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7423952 | 0.86 | KMT2A (0.68) | SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL17024352 | 0.86 | KMT2A (0.68) | SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL60288 | 0.86 | KMT2A (0.68) | SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL585645 | 0.86 | KMT2A (0.68) | SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL412452 | 0.86 | KMT2A (0.68) | SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL17419427 | 0.86 | KMT2A (0.68) | SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL26058 | 0.86 | KMT2A (0.68) | SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30481552 | 0.86 | KMT2A (0.68) | SMN1; SMN2KDM4ECYP1A2CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100292469-A1 | PROCESS FOR THE PREPARATION OF N-TRIAZINYLAMMONIUM SALTS | ITALVELLUTI S.P.A. (IT) | 2010-11-18 | — | — | US | disclosed |
| EP-1951691-A1 | PROCESS FOR THE PREPARATION OF N-TRIAZINYLAMMONIUM SALTS | Italvelluti S.p.A. (IT) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007051496-A1 | PROCESS FOR THE PREPARATION OF N-TRIAZINYLAMMONIUM SALTS | ITALVELLUTI S.P.A. (IT) | 2007-05-10 | — | — | WO | disclosed |