Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | LAP3 | P28838 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | F11 | P03951 | 2/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL534422 | 0.76 | ANPEP (0.42) | PKMANPEPLAP3LIPGF2 | |
| SCHEMBL1805602 | 0.74 | CYP1A2 (0.54) | CYP1A2SMN1; SMN2PKMCYP2D6NPSR1 | |
| SCHEMBL28680653 | 0.71 | F11 (0.49) | ANPEPLAP3LIPGF2F11 | |
| SCHEMBL14934883 | 0.71 | CXCR2 (0.39) | CYP1A2SMN1; SMN2PKMCYP2D6NPSR1 | |
| SCHEMBL28864980 | 0.70 | LIPE (0.34) | LIPGF2F11PRSS1PRSS2 | |
| SCHEMBL20494027 | 0.69 | CXCR2 (0.41) | CYP1A2SMN1; SMN2PKMCYP2D6NPSR1 | |
| SCHEMBL27150706 | 0.69 | PTGS1 (0.37) | LIPGPTGS1 | |
| SCHEMBL29107983 | 0.69 | LMNA (0.39) | CYP1A2SMN1; SMN2NPSR1LMNAKDM4E | |
| SCHEMBL7292748 | 0.67 | PKM (0.54) | CYP1A2SMN1; SMN2PKMCYP2D6NPSR1 | |
| SCHEMBL22911682 | 0.67 | PKM (0.54) | CYP1A2SMN1; SMN2PKMCYP2D6NPSR1 |
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-2413941-A1 | RENIN INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-02-08 | — | — | EP | disclosed |
| WO-2011057382-A1 | SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2011-05-19 | — | — | WO | disclosed |