Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.49 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10797345 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HTR2CP2RX4KMT2AMEN1 | |
| SCHEMBL542152 | 0.83 | HTR2C (0.49) | ALDH1A1HTR2CP2RX4KMT2AMEN1 | |
| SCHEMBL542153 | 0.83 | HTR2C (0.49) | ALDH1A1HTR2CP2RX4KMT2AMEN1 | |
| SCHEMBL1834783 | 0.83 | HTR2C (0.49) | ALDH1A1HTR2CP2RX4KMT2AMEN1 | |
| SCHEMBL536304 | 0.82 | MEN1 (0.48) | KMT2AMEN1NPSR1NPC1RAB9A | |
| SCHEMBL29235102 | 0.81 | KMT2A (0.51) | ALDH1A1HTR2CP2RX4KMT2AMEN1 | |
| SCHEMBL7245273 | 0.78 | MEN1 (0.49) | ALDH1A1HTR2CP2RX4KMT2AMEN1 | |
| SCHEMBL630773 | 0.78 | MEN1 (0.49) | ALDH1A1HTR2CP2RX4KMT2AMEN1 | |
| SCHEMBL25272477 | 0.77 | HTR2C (0.44) | ALDH1A1HTR2CP2RX4KMT2AMEN1 | |
| SCHEMBL25230617 | 0.77 | HTR2C (0.44) | ALDH1A1HTR2CP2RX4KMT2AMEN1 |
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 |