Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.59 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 SCHEMBL28775330 | 0.98 | CXCR3 (0.58) | CXCR3TRPV6MEN1KMT2ACYP2D6 | |
| SCHEMBL14375212 | 0.82 | ACHE (0.54) | CXCR3TRPV6MEN1KMT2ACYP2D6 | |
| SCHEMBL13375739 | 0.79 | TRPV6 (0.50) | CXCR3TRPV6MEN1KMT2ACYP2D6 | |
| SCHEMBL23198133 | 0.79 | TRPV6 (0.52) | CXCR3TRPV6MEN1KMT2ACYP2D6 | |
| SCHEMBL13374355 | 0.78 | TRPV6 (0.49) | CXCR3TRPV6MEN1KMT2ACYP2D6 | |
| SCHEMBL4623772 | 0.76 | CXCR4 (0.53) | CXCR3TRPV6KMT2ACYP2D6CYP2C9 | |
| SCHEMBL8045561 | 0.76 | SIGMAR1 (0.55) | TRPV6MEN1KMT2ACYP2D6CYP2C9 | |
| SCHEMBL31670698 | 0.76 | SIGMAR1 (0.55) | TRPV6MEN1KMT2ACYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL4887046 | 0.75 | CXCR4 (0.51) | CXCR3TRPV6CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12536025 | 0.75 | CYP2D6 (0.54) | TRPV6MEN1KMT2ACYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1904479-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | Sanofi-Aventis (FR) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007006926-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2007-01-18 | — | — | WO | disclosed |