Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8625907 | 0.80 | NPC1 (0.45) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL6984392 | 0.75 | TDP1 (0.51) | NPC1RAB9APOLBSMN1; SMN2LMNA | |
| SCHEMBL7650358 | 0.75 | NPC1 (0.49) | P2RX7CA12CA1CA2CA9 | |
| SCHEMBL2295789 | 0.75 | CA12 (0.66) | P2RX7CA12CA1CA2CA9 | |
| SCHEMBL4908338 | 0.74 | GAA (0.69) | P2RX7CA12CA1CA2CA9 | |
| SCHEMBL11497205 | 0.72 | CASP1 (0.52) | — | |
| SCHEMBL27687398 | 0.71 | P2RX7 (0.47) | P2RX7CA12CA1CA2CA9 | |
| SCHEMBL11651843 | 0.70 | CA12 (0.60) | P2RX7CA12CA1CA2CA9 | |
| SCHEMBL27880557 | 0.70 | CA12 (0.60) | P2RX7CA12CA1CA2CA9 | |
| SCHEMBL28055255 | 0.70 | LMNA (0.59) | P2RX7CA12CA1CA2CA9 |
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 |