Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 8/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 6/20 | 0.55 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.49 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | PYGL | P06737 | 2/20 | 0.48 |
| ▸ | PYGM | P11217 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7069488 | 0.91 | SMYD3 (0.61) | F10SMYD3PYGLF2 | |
| SCHEMBL6834302 | 0.86 | DRD4 (0.56) | F10PYGLPYGM | |
| SCHEMBL16842006 | 0.86 | TAS1R3 (0.59) | F10ALOX15SMYD3PYGLPYGM | |
| SCHEMBL27558367 | 0.84 | CCKBR (0.57) | PYGLPYGM | |
| SCHEMBL5256019 | 0.84 | CCKBR (0.57) | PYGLPYGM | |
| SCHEMBL6753481 | 0.83 | F10 (0.51) | F10ALOX15SMYD3PYGLPYGM | |
| SCHEMBL6840639 | 0.83 | F10 (0.51) | F10ALOX15SMYD3PYGLPYGM | |
| SCHEMBL5255542 | 0.83 | KMT2A (0.55) | — | |
| SCHEMBL5256902 | 0.83 | F10 (0.43) | F10ALOX15F2 | |
| SCHEMBL5257246 | 0.81 | F10 (0.49) | F10ALOX15SMYD3PYGLPYGM |
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-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| US-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |