Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 2/20 | 0.62 |
| ▸ | EGFR | P00533 | 2/20 | 0.58 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PLK1 | P53350 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.46 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.46 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12309807 | 0.93 | MLYCD (0.54) | MLYCDEGFRERBB2HDAC1HDAC6 | |
| SCHEMBL9694832 | 0.90 | MLYCD (0.72) | MLYCDEGFRERBB2HDAC1HDAC6 | |
| SCHEMBL11919822 | 0.89 | ALDH1A1 (0.50) | MLYCDEGFRERBB2HDAC1HDAC6 | |
| SCHEMBL10076244 | 0.87 | ALDH1A1 (0.52) | MLYCDEGFRERBB2HDAC1HDAC6 | |
| SCHEMBL3559829 | 0.84 | HPGD (0.61) | MLYCDHDAC1HDAC6ALDH1A1HPGD | |
| SCHEMBL12309792 | 0.83 | ACACB (0.52) | MLYCDEGFRERBB2HDAC1HDAC6 | |
| SCHEMBL26314066 | 0.82 | MLYCD (0.64) | MLYCDEGFRERBB2HDAC1HDAC6 | |
| SCHEMBL26313600 | 0.82 | MLYCD (0.64) | MLYCDEGFRERBB2HDAC1HDAC6 | |
| SCHEMBL4489409 | 0.82 | MLYCD (0.64) | MLYCDEGFRERBB2HDAC1HDAC6 | |
| SCHEMBL7967022 | 0.82 | MLYCD (0.64) | MLYCDEGFRERBB2HDAC1HDAC6 |
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-3694840-B1 | PIPERAZINE DERIVATIVES AS MAGL INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-08-04 | — | — | EP | disclosed |
| EP-3041841-B1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-06-05 | — | — | EP | disclosed |