Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.51 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1713728 | 0.96 | SIGMAR1 (0.63) | HRH3SIGMAR1L3MBTL1ACHECYP2D6 | |
| SCHEMBL11172583 | 0.95 | HRH3 (0.57) | HRH3SIGMAR1L3MBTL1ACHEHRH4 | |
| SCHEMBL484888 | 0.93 | SIGMAR1 (0.59) | HRH3SIGMAR1LMNAPOLBMC4R | |
| Hydrochloric Acid SCHEMBL1171130 | 0.91 | SIGMAR1 (0.57) | HRH3SIGMAR1LMNAPOLBALDH1A1 | |
| SCHEMBL1366467 | 0.88 | L3MBTL1 (0.54) | HRH3SIGMAR1L3MBTL1ACHEHRH4 | |
| SCHEMBL568477 | 0.86 | SIGMAR1 (0.53) | SIGMAR1L3MBTL1ACHECYP2D6CYP2C19 | |
| SCHEMBL4726 | 0.85 | SIGMAR1 (0.68) | SIGMAR1ACHELMNAPOLBMC4R | |
| SCHEMBL13952 | 0.84 | SIGMAR1 (0.81) | HRH3SIGMAR1L3MBTL1ACHEHRH4 | |
| SCHEMBL1777747 | 0.84 | SIGMAR1 (0.81) | HRH3SIGMAR1L3MBTL1ACHEHRH4 | |
| Hydrochloric Acid SCHEMBL1243957 | 0.84 | SIGMAR1 (0.52) | SIGMAR1L3MBTL1ACHECYP2D6CYP2C19 |
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-2069347-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | Merck & Co., Inc. (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008039420-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-04-03 | — | — | WO | disclosed |