Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15568242 | 0.86 | KMT2A (0.53) | CHRM2CHRM1CHRM3CYP3A4SMN1; SMN2 | |
| SCHEMBL7296943 | 0.85 | CHRM2 (0.52) | CHRM2CHRM1CHRM3CYP3A4TP53 | |
| SCHEMBL3030411 | 0.84 | CYP2D6 (0.53) | DHFRCYP2D6TSHR | |
| SCHEMBL910728 | 0.84 | CHRM2 (0.62) | CHRM2CHRM1CHRM3CYP3A4TP53 | |
| Phenetole SCHEMBL18131913 | 0.83 | LTA4H (0.57) | CHRM2CHRM1CHRM3TP53SMN1; SMN2 | |
| SCHEMBL28886740 | 0.82 | TP53 (0.53) | CHRM2CHRM1CHRM3CYP3A4TP53 | |
| SCHEMBL7776888 | 0.82 | FFAR1 (0.44) | CHRM2CHRM1CHRM3KDM4EALDH1A1 | |
| SCHEMBL248658 | 0.81 | CHRM2 (0.57) | CHRM2CHRM1CHRM3SMN1; SMN2ALDH1A1 | |
| SCHEMBL4353971 | 0.81 | CHRM2 (0.58) | CHRM2CHRM1CHRM3CYP3A4TP53 | |
| SCHEMBL1768166 | 0.81 | CYP3A4 (0.55) | CHRM2CHRM1CHRM3CYP3A4TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1558607-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES | VERTEX PHARMA (US) | 2010-05-05 | — | — | EP | disclosed |
| EP-1507530-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003097048-A1 | DIAMINOTHIAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-27 | — | — | WO | disclosed |