Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.56 |
| ▸ | PDK2 | Q15119 | 5/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | INSR | P06213 | 1/20 | 0.46 |
| ▸ | ITK | Q08881 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6424264 | 0.95 | PDK2 (0.56) | CNR2PDK2HSD17B1HSD17B2INSR | |
| SCHEMBL3916812 | 0.91 | PDK2 (0.59) | CNR2PDK2HSD17B1HSD17B2POLB | |
| SCHEMBL11938472 | 0.91 | PKM (0.47) | CNR2PDK2ITKCNR1PKM | |
| SCHEMBL5085953 | 0.83 | MLNR (0.49) | CNR2PDK2CNR1NPC1PKM | |
| SCHEMBL8819827 | 0.83 | PKM (0.59) | KMT2AMEN1NPC1POLBPKM | |
| SCHEMBL22624637 | 0.83 | PDK2 (0.62) | PDK2HSD17B1HSD17B2POLB | |
| Hydrochloric Acid SCHEMBL19520341 | 0.83 | PDK2 (0.52) | CNR2PDK2HSD17B1HSD17B2KMT2A | |
| SCHEMBL5274067 | 0.82 | SRD5A2 (0.53) | PDK2INSRITKKMT2AMEN1 | |
| Water SCHEMBL11230571 | 0.82 | PKM (0.41) | CNR2PDK2ITKCNR1PKM | |
| Water SCHEMBL11230570 | 0.82 | PKM (0.41) | CNR2PDK2ITKCNR1PKM |
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-1976513-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | Sepracor, Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007081857-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SEPRACOR INC. (US) | 2007-07-19 | — | — | WO | disclosed |