Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6991431 | 0.76 | NPC1 (0.51) | NPC1RAB9AGAACA12CA1 | |
| SCHEMBL7654986 | 0.75 | P2RX7 (0.48) | NPC1RAB9AP2RX7GAACA12 | |
| SCHEMBL2295789 | 0.72 | CA12 (0.66) | NPC1RAB9AP2RX7GAACA12 | |
| SCHEMBL4908338 | 0.71 | GAA (0.69) | NPC1RAB9AP2RX7GAACA12 | |
| SCHEMBL2918702 | 0.71 | GAA (0.64) | NPC1RAB9AP2RX7GAACA12 | |
| SCHEMBL27880557 | 0.70 | CA12 (0.60) | NPC1RAB9AP2RX7GAACA12 | |
| SCHEMBL4149248 | 0.69 | ALDH1A1 (0.60) | NPC1RAB9AP2RX7CA12CA1 | |
| Hydrochloric Acid SCHEMBL4149246 | 0.68 | ALDH1A1 (0.58) | NPC1RAB9AP2RX7CA12CA1 | |
| SCHEMBL28954497 | 0.68 | ALDH1A1 (0.63) | NPC1RAB9AP2RX7CA12CA1 | |
| SCHEMBL11651843 | 0.67 | CA12 (0.60) | NPC1RAB9AP2RX7CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |