Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8550989 | 0.84 | DRD2 (0.56) | CHRNA7ALDH1A1KDM4EKCNH2SIGMAR1 | |
| SCHEMBL740054 | 0.80 | CHRNA7 (0.58) | CHRNA7ALDH1A1KDM4EKCNH2SIGMAR1 | |
| SCHEMBL13676451 | 0.80 | CHRNA7 (0.42) | CHRNA7KCNH2SIGMAR1DRD2LMNA | |
| SCHEMBL8780413 | 0.79 | DRD2 (0.50) | CHRNA7ALDH1A1KDM4EKCNH2SIGMAR1 | |
| SCHEMBL9825418 | 0.78 | HTR1A (0.50) | CHRNA7ALDH1A1KDM4EKCNH2SIGMAR1 | |
| SCHEMBL2115191 | 0.77 | CHRNA7 (0.53) | CHRNA7ALDH1A1KDM4EKCNH2SIGMAR1 | |
| SCHEMBL28484549 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27845680 | 0.76 | CHRNA7 (0.52) | CHRNA7ALDH1A1KDM4EKCNH2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL11552188 | 0.76 | CHRNA7 (0.52) | CHRNA7ALDH1A1KDM4EKCNH2SIGMAR1 | |
| SCHEMBL26382802 | 0.76 | KCNH2 (0.65) | CHRNA7ALDH1A1KDM4EKCNH2SIGMAR1 |
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-2771008-A1 | MACROCYCLES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF | Merck Sharp & Dohme Corp. (US) | 2014-09-03 | — | — | EP | disclosed |
| WO-2013062923-A1 | MACROCYCLES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2013-05-02 | — | — | WO | disclosed |