Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MMP13 | P45452 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28666879 | 0.80 | NPC1 (0.40) | RAB9AL3MBTL1NPC1MMP13PTGS2 | |
| SCHEMBL28930111 | 0.79 | NPC1 (0.41) | RAB9AL3MBTL1NPC1MMP13PTGS2 | |
| SCHEMBL28678652 | 0.78 | NPC1 (0.42) | RAB9AL3MBTL1NPC1MMP13ALDH1A1 | |
| SCHEMBL28661409 | 0.76 | NPC1 (0.35) | RAB9AL3MBTL1NPC1 | |
| SCHEMBL20660114 | 0.76 | RET (0.48) | RAB9AL3MBTL1NPC1 | |
| SCHEMBL28663864 | 0.76 | NPC1 (0.46) | RAB9AL3MBTL1NPC1MMP13THRB | |
| SCHEMBL16936664 | 0.75 | NPC1 (0.44) | RAB9AL3MBTL1NPC1MMP13PTGS2 | |
| SCHEMBL28660044 | 0.72 | NPC1 (0.41) | RAB9AL3MBTL1NPC1MMP13PTGS2 | |
| SCHEMBL16936324 | 0.71 | NPC1 (0.48) | RAB9AL3MBTL1NPC1 | |
| SCHEMBL16936223 | 0.71 | NPC1 (0.53) | RAB9AL3MBTL1NPC1MMP13THRB |
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-3654968-A1 | METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF | Merck Sharp & Dohme Corp. (US) | 2020-05-27 | — | — | EP | disclosed |
| WO-2019018186-A1 | METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. (US) | 2019-01-24 | — | — | WO | disclosed |