Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL584234 | 1.00 | NPC1 (0.71) | NPC1CYP2C9CYP2C19CA12CA1 | |
| SCHEMBL8076355 | 0.94 | NPC1 (0.79) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL1114367 | 0.90 | NPC1 (0.79) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL584503 | 0.86 | NPC1 (0.69) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL11170918 | 0.86 | NPC1 (0.74) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL13144461 | 0.86 | NPC1 (0.73) | NPC1CA12CA1CA2CA7 | |
| SCHEMBL11829127 | 0.85 | ESR1 (0.56) | NPC1CYP2C19MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL7706863 | 0.85 | NPC1 (0.54) | NPC1CYP2C9CYP2C19KMT2AMAPT | |
| SCHEMBL5944013 | 0.85 | NPC1 (0.60) | NPC1ALOX5KMT2AMAPTKCNJ1 | |
| SCHEMBL5944021 | 0.85 | NPC1 (0.60) | NPC1ALOX5KMT2AMAPTKCNJ1 |
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-6448254-B1 | INHIBITORS OF ENZYMES, IN PARTICULAR CYSTEINE PROTEASES, SUCH AS CALPAIN AND ITS ISOENZYMES AND CATHEPSINS | ABBOTT LABORATORIES | 2002-09-10 | — | — | US | disclosed |