Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA9 | Q16790 | 4/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.41 |
| ▸ | LARS1 | Q9P2J5 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 3/20 | 0.39 |
| ▸ | ADAMTS4 | O75173 | 3/20 | 0.39 |
| ▸ | MMP13 | P45452 | 3/20 | 0.39 |
| ▸ | MMP14 | P50281 | 2/20 | 0.39 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL7610531 | 0.83 | MEN1 (0.37) | CA2CA1LARS1MMP2ADAMTS4 | |
| SCHEMBL7611741 | 0.80 | ANPEP (0.39) | ALDH1A1 | |
| SCHEMBL7816028 | 0.74 | CA5A (0.56) | CA1MMP13 | |
| SCHEMBL11660914 | 0.72 | CTSK (0.43) | ALDH1A1 | |
| SCHEMBL10908162 | 0.72 | ANPEP (0.45) | ALDH1A1 | |
| SCHEMBL7163920 | 0.71 | TARS1 (0.54) | HSP90AA1HSP90AB1PDK1PDK2PDK3 | |
| SCHEMBL7164038 | 0.69 | CTSK (0.62) | CA1MMP13 | |
| SCHEMBL27799677 | 0.69 | ANPEP (0.45) | ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL27473269 | 0.69 | ANPEP (0.45) | ALDH1A1 | |
| SCHEMBL7615037 | 0.68 | CTSK (0.37) | CA2CA1LARS1MMP2ADAMTS4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1068304-A4 | TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY | SMITHKLINE BEECHAM CORP (US) | 2001-05-09 | — | — | EP | disclosed |
| EP-1068304-A1 | TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999053039-A1 | TREATMENT OF PARASITIC DISEASES BY INHIBITION OF CYSTEINE PROTEASES OF THE PAPAIN SUPERFAMILY | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-21 | — | — | WO | disclosed |