Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.60 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23862112 | 0.84 | CHRM5 (0.62) | CHRM5CHRM3ALDH1A1HTTTDP1 | |
| SCHEMBL7720993 | 0.84 | CHRM5 (0.62) | CHRM5CHRM3ALDH1A1HTTTDP1 | |
| SCHEMBL23464917 | 0.83 | CHRM5 (0.75) | CHRM5CHRM3ALDH1A1HTTTDP1 | |
| SCHEMBL23553283 | 0.83 | CHRM5 (0.60) | CHRM5CHRM3ALDH1A1HTTTDP1 | |
| SCHEMBL19000014 | 0.82 | CHRM5 (0.54) | CHRM5CHRM3ALDH1A1HTTTDP1 | |
| SCHEMBL23553269 | 0.81 | CHRM5 (0.58) | CHRM5CHRM3ALDH1A1HTTTDP1 | |
| SCHEMBL9911472 | 0.81 | CHRM5 (0.58) | CHRM5CHRM3ALDH1A1HTTTDP1 | |
| SCHEMBL7721235 | 0.81 | CHRM5 (0.72) | CHRM5CHRM3ALDH1A1TDP1KDM4E | |
| SCHEMBL18743787 | 0.81 | CHRM5 (0.72) | CHRM5CHRM3ALDH1A1HTTTDP1 | |
| SCHEMBL1675808 | 0.80 | SMN1; SMN2 (0.40) | ALDH1A1HTTKDM4ESMN1; SMN2POLB |
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-1558609-A4 | KINASE INHIBITORS | MERCK & CO INC (US) | 2008-05-28 | — | — | EP | disclosed |
| EP-1558609-A2 | KINASE INHIBITORS | Merck & Co., Inc. (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004041164-A2 | KINASE INHIBITORS | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | disclosed |