Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.51 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | REN | P00797 | 2/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | SOX18 | P35713 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27515011 | 0.87 | CTSB (0.47) | SLC13A5CTSBCTSSCTSKCYP1A2 | |
| SCHEMBL4385270 | 0.85 | SMN1; SMN2 (0.49) | CTSBCTSSCTSKSMN1; SMN2HIF1A | |
| SCHEMBL9544129 | 0.85 | SMN1; SMN2 (0.49) | CTSBCTSSCTSKSMN1; SMN2HIF1A | |
| SCHEMBL9543962 | 0.85 | SMN1; SMN2 (0.49) | CTSBCTSSCTSKSMN1; SMN2HIF1A | |
| SCHEMBL27347615 | 0.80 | BLM (0.49) | SLC13A5CTSSCTSKCYP1A2SMN1; SMN2 | |
| SCHEMBL27670635 | 0.80 | GRM2 (0.51) | SMN1; SMN2 | |
| SCHEMBL9753258 | 0.79 | CNR2 (0.43) | CTSBCTSSCTSKHDAC1HDAC8 | |
| SCHEMBL9753262 | 0.79 | CNR2 (0.43) | CTSBCTSSCTSKHDAC1HDAC8 | |
| SCHEMBL9318817 | 0.78 | CYP1A2 (0.41) | CYP1A2SMN1; SMN2 | |
| SCHEMBL8315125 | 0.78 | SMN1; SMN2 (0.46) | CTSSCTSKSMN1; SMN2HIF1AHDAC1 |
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-0923550-A1 | ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS | Novartis AG (CH) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998007694-A1 | ACYLAMINOALKENYLENE-AMIDE DERIVATIVES AS NK1 AND NK2 ANTAGONISTS | NOVARTIS AG (CH) | 1998-02-26 | — | — | WO | disclosed |