Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | RORC | P51449 | 2/20 | 0.36 |
| ▸ | GPR183 | P32249 | 2/20 | 0.36 |
| ▸ | NEK2 | P51955 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.34 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL4662764 | 0.90 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29087364 | 0.84 | KMT2A (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3633446 | 0.79 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16936273 | 0.79 | RORC (0.53) | RORCOPRD1OPRK1 | |
| SCHEMBL18226512 | 0.79 | RORC (0.53) | RORCOPRD1OPRK1 | |
| SCHEMBL16936274 | 0.79 | RORC (0.53) | RORCOPRD1OPRK1 | |
| SCHEMBL1427539 | 0.76 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27674461 | 0.75 | ESR1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10322683 | 0.75 | OPRM1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21855146 | 0.74 | CA12 (0.43) | CA12CA1CA2CA7CA9 |
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-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 |