Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | FPR3 | P25089 | 1/20 | 0.30 |
| ▸ | FPR2 | P25090 | 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 | |
|---|---|---|---|---|
| SCHEMBL323060 | 0.84 | CHRM2 (0.44) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL323220 | 0.84 | CHRM2 (0.44) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL322281 | 0.84 | CHRM2 (0.44) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL10306685 | 0.82 | CHRM2 (0.42) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| Water SCHEMBL4817063 | 0.82 | CHRM2 (0.42) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL8199394 | 0.82 | ALDH1A1 (0.40) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| Benzene SCHEMBL5878128 | 0.81 | CHRM2 (0.41) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| SCHEMBL27419581 | 0.79 | CHRM2 (0.44) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| Isobutane SCHEMBL11057630 | 0.78 | CHRM2 (0.43) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 | |
| Hexane SCHEMBL11488442 | 0.75 | CHRM2 (0.41) | CHRM2CHRM4CHRM5CHRM3ALDH1A1 |
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-1019501-A1 | NOVEL PYRIMIDINE DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2000-07-19 | — | — | EP | disclosed |
| WO-1998041526-A1 | NOVEL PYRIMIDINE DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-09-24 | — | — | WO | disclosed |