Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | FPR1 | P21462 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1232940 | 0.95 | TDP1 (0.33) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL578088 | 0.82 | ALDH1A1 (0.36) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL1232941 | 0.78 | MAOA (0.33) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL578381 | 0.76 | — | — | |
| SCHEMBL578322 | 0.76 | KDM4E (0.33) | ALDH1A1 | |
| SCHEMBL577801 | 0.68 | GABRA1 (0.39) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL19399210 | 0.67 | KDM4E (0.51) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL577802 | 0.67 | ALDH1A1 (0.36) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL577990 | 0.64 | GABRA1 (0.36) | ALDH1A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL6223571 | 0.64 | ALDH1A1 (0.46) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2461811-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV | IDENIX Pharmaceuticals, Inc. (US) | 2012-06-13 | — | — | EP | claimed |
| EP-2417134-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX Pharmaceuticals, Inc. (US) | 2012-02-15 | — | — | EP | claimed |
| WO-2011017389-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV | IDENIX PHARMACEUTICALS, INC. (US) | 2011-02-10 | — | — | WO | claimed |
| WO-2010118078-A1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS, INC. (US) | 2010-10-14 | — | — | WO | claimed |