Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 7/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.47 |
| ▸ | CPN1 | P15169 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL381187 | 0.87 | L3MBTL1 (0.44) | L3MBTL1ALDH1A1NPSR1 | |
| SCHEMBL21009822 | 0.87 | L3MBTL1 (0.44) | L3MBTL1ALDH1A1NPSR1 | |
| SCHEMBL17200481 | 0.83 | ALDH1A1 (0.45) | SLC6A2SLC6A3SLC6A4L3MBTL1ALDH1A1 | |
| SCHEMBL28249755 | 0.83 | L3MBTL1 (0.42) | L3MBTL1ALDH1A1NPSR1 | |
| SCHEMBL31547138 | 0.83 | ALDH1A1 (0.45) | SLC6A2SLC6A3SLC6A4L3MBTL1ALDH1A1 | |
| SCHEMBL197612 | 0.81 | ALDH1A1 (0.48) | L3MBTL1ALDH1A1NPSR1 | |
| SCHEMBL198506 | 0.81 | ALDH1A1 (0.48) | L3MBTL1ALDH1A1NPSR1 | |
| SCHEMBL5268464 | 0.81 | SLC6A2 (0.44) | SLC6A2SLC6A3SLC6A4CPN1CPB2 | |
| SCHEMBL11395732 | 0.81 | L3MBTL1 (0.53) | SLC6A2SLC6A3SLC6A4CPN1CPB2 | |
| SCHEMBL2254747 | 0.80 | SLC6A2 (0.48) | SLC6A2SLC6A3SLC6A4CPN1CPB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3096754-A1 | METALLO-BETA-LACTAMASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-11-30 | — | — | EP | disclosed |
| WO-2015112441-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-07-30 | — | — | WO | disclosed |
| EP-1802602-A1 | SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-07-04 | — | — | EP | disclosed |
| WO-2006036527-A1 | SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-04-06 | — | — | WO | disclosed |