Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 10/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 6/20 | 0.34 |
| ▸ | CTSS | P25774 | 6/20 | 0.34 |
| ▸ | CTSB | P07858 | 5/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | CTSV | O60911 | 2/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.33 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4050147 | 0.93 | CTSK (0.40) | CTSKMMP1MMP3MMP9SMYD3 | |
| SCHEMBL4047431 | 0.93 | ALDH1A1 (0.37) | ALDH1A1SMYD3NAMPTTNFMAPK1 | |
| SCHEMBL4045961 | 0.90 | CTSK (0.39) | CTSKALDH1A1TAS1R3TAS1R1MMP1 | |
| SCHEMBL4041598 | 0.90 | CTSK (0.40) | CTSKALDH1A1TAS1R3TAS1R1CTSL | |
| SCHEMBL4039893 | 0.88 | CTSK (0.41) | CTSKALDH1A1TAS1R3TAS1R1MMP1 | |
| SCHEMBL4043952 | 0.88 | CTSK (0.42) | CTSKCTSLCTSSCTSB | |
| SCHEMBL4048629 | 0.87 | CTSK (0.42) | CTSKALDH1A1TAS1R3TAS1R1MMP1 | |
| SCHEMBL4050939 | 0.87 | CTSK (0.37) | CTSKALDH1A1SMYD3CTSLCTSS | |
| SCHEMBL4047844 | 0.86 | SMYD3 (0.35) | CTSKSMYD3 | |
| SCHEMBL4050010 | 0.86 | CTSK (0.44) | CTSKALDH1A1CTSLCTSSCTSB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | claimed |