Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24034477 | 0.95 | KDM4E (0.39) | KDM4EALDH1A1GAAMAPTHPGD | |
| SCHEMBL17828000 | 0.89 | CCR1 (0.40) | KDM4EALDH1A1GAAMAPTHPGD | |
| SCHEMBL17828091 | 0.81 | HRH1 (0.39) | CCR1CCR5CCR8HDAC6ESR1 | |
| SCHEMBL17828006 | 0.81 | CCR1 (0.34) | KDM4EALDH1A1CCR1CCR5CCR8 | |
| SCHEMBL12692496 | 0.81 | CCR1 (0.43) | KDM4EALDH1A1GAAMAPTHPGD | |
| SCHEMBL17827999 | 0.81 | CCR1 (0.43) | KDM4EALDH1A1GAAMAPTHPGD | |
| SCHEMBL12314689 | 0.80 | ESR1 (0.40) | KDM4EMAPTHPGDCCR1CCR5 | |
| SCHEMBL17921509 | 0.80 | L3MBTL4 (0.37) | KDM4EALDH1A1GAAMAPTHPGD | |
| SCHEMBL12572508 | 0.77 | KDM4E (0.39) | KDM4EALDH1A1GAAMAPTHPGD | |
| SCHEMBL18948444 | 0.77 | KDM4E (0.39) | KDM4EALDH1A1GAAMAPTHPGD |
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-3041841-B1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-06-05 | — | — | EP | disclosed |