Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | PYGL | P06737 | 3/20 | 0.51 |
| ▸ | PYGM | P11217 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.44 |
| ▸ | CCKBR | P32239 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | F10 | P00742 | 6/20 | 0.42 |
| ▸ | F2 | P00734 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5258969 | 0.84 | MLLT1 (0.53) | MLLT1CCKBRF10F2SMYD3 | |
| SCHEMBL6834814 | 0.84 | MLLT1 (0.53) | MLLT1CCKBRF10F2SMYD3 | |
| SCHEMBL6832859 | 0.83 | MLLT1 (0.52) | PYGLPYGMMLLT1MEN1KMT2A | |
| SCHEMBL7069488 | 0.83 | SMYD3 (0.61) | PYGLMLLT1EHMT2F10F2 | |
| SCHEMBL7067623 | 0.83 | MLLT1 (0.72) | KDM4EPYGLPYGMMLLT1MEN1 | |
| SCHEMBL5256226 | 0.82 | KDM4E (0.43) | KDM4EPYGLPYGMNPC1MAPT | |
| SCHEMBL6833159 | 0.82 | KDM4E (0.43) | KDM4EPYGLPYGMNPC1MAPT | |
| SCHEMBL5256019 | 0.81 | CCKBR (0.57) | KDM4EPYGLPYGMNPC1MAPT | |
| SCHEMBL27558367 | 0.81 | CCKBR (0.57) | KDM4EPYGLPYGMNPC1MAPT | |
| SCHEMBL16842009 | 0.80 | MLLT1 (0.51) | KDM4EPYGLPYGMMLLT1HPGD |
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-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |