Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6208654 | 0.87 | CES2 (0.50) | CES2CES1KMT2ANPC1MEN1 | |
| SCHEMBL8378855 | 0.81 | CES2 (0.62) | CES2CES1KMT2ANPC1MEN1 | |
| SCHEMBL6207827 | 0.81 | HPGD (0.52) | KMT2ANPC1RAB9AALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL2145842 | 0.80 | CES2 (0.52) | CES2CES1KMT2ANPC1MEN1 | |
| SCHEMBL6205116 | 0.79 | NPC1 (0.50) | KMT2ANPC1MEN1RAB9AALDH1A1 | |
| SCHEMBL6206781 | 0.79 | RAB9A (0.50) | CES2CES1KMT2ANPC1MEN1 | |
| SCHEMBL29050175 | 0.79 | MAPT (0.44) | CES2CES1KMT2ANPC1MEN1 | |
| SCHEMBL6205639 | 0.79 | MAPT (0.43) | KMT2ANPC1MEN1RAB9AALDH1A1 | |
| SCHEMBL6206850 | 0.79 | LMNA (0.46) | NPC1RAB9ATDP1GAALMNA | |
| SCHEMBL6208809 | 0.77 | HPGD (0.51) | KMT2ANPC1RAB9AALDH1A1GAA |
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 |