Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL28001106 | 0.85 | ALDH1A1 (0.49) | CTSDRAB9ANPC1ALDH1A1KMT2A | |
| SCHEMBL1706209 | 0.84 | CTSD (0.56) | CTSDRAB9ANPC1ALDH1A1HTT | |
| SCHEMBL2289848 | 0.84 | ALDH1A1 (0.61) | CTSDRAB9ANPC1ALDH1A1HTT | |
| SCHEMBL27570720 | 0.82 | ALDH1A1 (0.46) | CTSDRAB9ANPC1ALDH1A1HTT | |
| SCHEMBL9647951 | 0.80 | ALDH1A1 (0.58) | CTSDRAB9ANPC1ALDH1A1HTT | |
| Oxirane SCHEMBL28311965 | 0.79 | KMT2A (0.46) | CTSDRAB9ANPC1ALDH1A1KMT2A | |
| SCHEMBL9647959 | 0.79 | ALDH1A1 (0.56) | CTSDRAB9ANPC1ALDH1A1HTT | |
| SCHEMBL9647969 | 0.79 | ALDH1A1 (0.56) | CTSDRAB9ANPC1ALDH1A1HTT | |
| SCHEMBL8576742 | 0.77 | CTSD (0.59) | CTSDRAB9ANPC1ALDH1A1HTT | |
| SCHEMBL6968113 | 0.77 | ALDH1A1 (0.58) | CTSDRAB9ANPC1ALDH1A1HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1532128-A1 | INHIBITORS OF HCV NS5B POLYMERASE | Pharmacia & Upjohn Company LLC (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004002977-A1 | INHIBITORS OF HCV NS5B POLYMERASE | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-01-08 | — | — | WO | disclosed |