Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | CES2 | O00748 | 7/20 | 0.47 |
| ▸ | CES1 | P23141 | 7/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6206511 | 0.88 | ALDH1A1 (0.53) | ALDH1A1MAPTCES2CES1MEN1 | |
| SCHEMBL6208814 | 0.80 | TSHR (0.50) | ALDH1A1MAPTCES2CES1MEN1 | |
| SCHEMBL9359710 | 0.78 | MEN1 (0.46) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| SCHEMBL9359702 | 0.78 | MEN1 (0.46) | ALDH1A1MAPTMEN1KMT2ANPC1 | |
| SCHEMBL6206512 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPTCES2CES1MEN1 | |
| SCHEMBL10962111 | 0.77 | ALDH1A1 (0.59) | ALDH1A1MAPTCES2CES1MEN1 | |
| SCHEMBL10962109 | 0.77 | ALDH1A1 (0.59) | ALDH1A1MAPTCES2CES1MEN1 | |
| Ether SCHEMBL9388847 | 0.77 | CES2 (0.52) | ALDH1A1MAPTCES2CES1MEN1 | |
| SCHEMBL97859 | 0.76 | ALDH1A1 (0.73) | ALDH1A1MAPTCES2CES1MEN1 | |
| SCHEMBL6207828 | 0.75 | CES2 (0.56) | ALDH1A1MAPTCES2CES1KDM4E |
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 |