Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | CCR1 | P32246 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | CTSC | P53634 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6382470 | 1.00 | POLB (0.48) | POLBLMNATDP1CNR2GRM7 | |
| SCHEMBL6382465 | 1.00 | POLB (0.48) | POLBLMNATDP1CNR2GRM7 | |
| SCHEMBL6384080 | 0.78 | ADAM17 (0.40) | POLBCTSK | |
| SCHEMBL6381865 | 0.78 | ADAM17 (0.40) | POLBCTSK | |
| SCHEMBL6381866 | 0.78 | ADAM17 (0.40) | POLBCTSK | |
| SCHEMBL6379903 | 0.78 | POLB (0.64) | POLBLMNATDP1GRM7ALDH1A1 | |
| SCHEMBL6379907 | 0.78 | POLB (0.64) | POLBLMNATDP1GRM7ALDH1A1 | |
| SCHEMBL6379897 | 0.78 | POLB (0.64) | POLBLMNATDP1GRM7ALDH1A1 | |
| SCHEMBL6839101 | 0.75 | PSEN1 (0.48) | CTSCKCNH2CTSK | |
| SCHEMBL6381237 | 0.75 | CASP3 (0.61) | ALDH1A1KCNH2CTSK |
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-1294679-B1 | BETA-AMINO ACID NITRILE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2005-09-21 | — | — | EP | claimed |
| EP-1294679-B1 | BETA-AMINO ACID NITRILE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2005-09-21 | — | — | EP | disclosed |
| US-6462076-B2 | CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. | HOFFMANN-LA ROCHE INC. | 2002-10-08 | — | — | US | disclosed |