Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.47 |
| ▸ | CACNA1G | O43497 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5226751 | 0.90 | CYP2D6 (0.54) | KCNH2CACNA1GCYP2D6LMNAMAPK1 | |
| SCHEMBL6261178 | 0.85 | MEN1 (0.47) | KCNH2CACNA1GMEN1KMT2ACYP2D6 | |
| SCHEMBL6186218 | 0.82 | CACNA1G (0.52) | KCNH2CACNA1GMEN1KMT2ALMNA | |
| SCHEMBL6188797 | 0.79 | CYP2D6 (0.55) | KCNH2CACNA1GMEN1KMT2ACYP2D6 | |
| SCHEMBL4487892 | 0.76 | LMNA (0.53) | MEN1KMT2ACYP2D6LMNASMN1; SMN2 | |
| SCHEMBL5223079 | 0.75 | CYP2D6 (0.48) | KCNH2CACNA1GMEN1KMT2ACYP2D6 | |
| SCHEMBL6259368 | 0.73 | SLC18A2 (0.43) | MEN1KMT2ACYP2D6LMNAMAPK1 | |
| SCHEMBL5227165 | 0.73 | CACNA1G (0.57) | KCNH2CACNA1GMEN1KMT2ALMNA | |
| SCHEMBL5224603 | 0.72 | — | — | |
| SCHEMBL6256508 | 0.72 | KMT2A (0.44) | MEN1KMT2ACYP2D6LMNAMAPK1 |
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-1578737-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004063180-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2004-07-29 | — | — | WO | disclosed |