Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PYGL | P06737 | 2/20 | 0.42 |
| ▸ | PYGM | P11217 | 1/20 | 0.42 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 4/20 | 0.37 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.37 |
| ▸ | GHSR | Q92847 | 3/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 3/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5256226 | 1.00 | KDM4E (0.43) | KDM4ENPC1MAPTPYGLPYGM | |
| SCHEMBL6839388 | 0.88 | MLLT1 (0.42) | PYGLMLLT1GHSRCTSSCTSK | |
| SCHEMBL5254556 | 0.88 | MLLT1 (0.42) | PYGLMLLT1GHSRCTSSCTSK | |
| SCHEMBL5259539 | 0.87 | SMYD3 (0.48) | PYGLEHMT2F10F2 | |
| SCHEMBL6838498 | 0.87 | MLLT1 (0.56) | KDM4ENPC1PYGLPYGMMLLT1 | |
| SCHEMBL5257174 | 0.87 | MLLT1 (0.41) | PYGLPYGMMLLT1MEN1KMT2A | |
| SCHEMBL5254519 | 0.87 | MLLT1 (0.56) | KDM4ENPC1PYGLPYGMMLLT1 | |
| SCHEMBL5255124 | 0.86 | MLLT1 (0.40) | KDM4ENPC1MAPTPYGLMLLT1 | |
| SCHEMBL6838618 | 0.86 | MLLT1 (0.40) | KDM4ENPC1MAPTPYGLMLLT1 | |
| SCHEMBL6838615 | 0.86 | MLLT1 (0.40) | KDM4ENPC1MAPTPYGLMLLT1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |
| US-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |