Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13687816 | 1.00 | PREP (0.41) | PREPCA12CA1CA9KDM4E | |
| SCHEMBL7189378 | 0.86 | CA12 (0.46) | PREPCA12CA1CA9KDM4E | |
| SCHEMBL7366745 | 0.85 | PREP (0.40) | PREPCA12CA1CA9CYP3A4 | |
| SCHEMBL7366750 | 0.85 | PREP (0.40) | PREPCA12CA1CA9CYP3A4 | |
| SCHEMBL10415076 | 0.80 | BACE1 (0.40) | BACE1 | |
| SCHEMBL10415078 | 0.80 | BACE1 (0.40) | BACE1 | |
| SCHEMBL8647804 | 0.79 | CA12 (0.42) | PREPCA12CA1CA9KDM4E | |
| SCHEMBL9843163 | 0.79 | CA12 (0.42) | PREPCA12CA1CA9KDM4E | |
| SCHEMBL9843159 | 0.79 | CA12 (0.42) | PREPCA12CA1CA9KDM4E | |
| SCHEMBL9699570 | 0.79 | TRPA1 (0.53) | PREPCA12CA1CA9KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0552309-A1 | NEW PROCESS FOR BIOPHOSPHORYLATING ORGANIC COMPOUNDS | MERCK & CO. INC. (US) | 1993-07-28 | — | — | EP | disclosed |
| WO-1992006992-A2 | NEW PROCESS FOR BIOPHOSPHORYLATING ORGANIC COMPOUNDS | MERCK & CO., INC. (US) | 1992-04-30 | — | — | WO | disclosed |
| EP-0434365-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1991-06-26 | — | — | EP | disclosed |