Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 2/20 | 0.31 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | LOX | P28300 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL780033 | 1.00 | CA1 (0.38) | CA1CA12CA7CA14CA2 | |
| SCHEMBL18136569 | 1.00 | CA1 (0.38) | CA1CA12CA7CA14CA2 | |
| SCHEMBL15177675 | 1.00 | CA1 (0.38) | CA1CA12CA7CA14CA2 | |
| SCHEMBL11563645 | 1.00 | CA1 (0.38) | CA1CA12CA7CA14CA2 | |
| SCHEMBL15508205 | 1.00 | CA1 (0.38) | CA1CA12CA7CA14CA2 | |
| SCHEMBL20170452 | 1.00 | CA1 (0.38) | CA1CA12CA7CA14CA2 | |
| SCHEMBL777755 | 0.97 | — | — | |
| SCHEMBL3056682 | 0.90 | — | — | |
| SCHEMBL14845771 | 0.89 | CA12 (0.38) | CA1CA12CA7CA14CA2 | |
| SCHEMBL28541085 | 0.84 | ALDH1A1 (0.40) | CA1CA12CA7CA14CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3068391-B1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME (US) | 2018-05-23 | — | — | EP | disclosed |