Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 4/20 | 0.40 |
| ▸ | CTSL | P07711 | 6/20 | 0.37 |
| ▸ | CTSB | P07858 | 4/20 | 0.37 |
| ▸ | CTSS | P25774 | 5/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6876209 | 0.87 | CASR (0.42) | CTSLCTSBCTSSCTSKHSD17B10 | |
| SCHEMBL7447953 | 0.82 | NAMPT (0.43) | NAMPTCTSLCTSBCTSSCTSK | |
| SCHEMBL6182151 | 0.78 | NAMPT (0.44) | NAMPTCTSSALDH1A1LMNATP53 | |
| SCHEMBL6183132 | 0.77 | GAA (0.48) | NAMPTMAPK1HSD17B10ALDH1A1LMNA | |
| SCHEMBL6183497 | 0.77 | CNR2 (0.44) | NAMPTALDH1A1NPC1RAB9ASMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL6182101 | 0.76 | PRKAB2 (0.49) | NAMPTMAPK1 | |
| SCHEMBL6183364 | 0.76 | CTSB (0.35) | CTSLCTSBCTSSCTSKNPC1 | |
| SCHEMBL6183242 | 0.75 | CTSK (0.37) | CTSLCTSBCTSSCTSK | |
| SCHEMBL5521755 | 0.73 | PRMT5 (0.42) | CTSLCTSBCTSSCTSKHDAC1 | |
| SCHEMBL6184516 | 0.71 | KDM4E (0.44) | NAMPTALDH1A1LMNANPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2002539192-A | — | — | 2002-11-19 | — | — | JP | claimed |
| EP-1161415-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | claimed |
| WO-2000055126-A2 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | claimed |