Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLA1 | P09884 | 2/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL443967 | 0.76 | POLA1 (0.48) | POLA1HSD11B1NR1H2NR1H3KMT2A | |
| SCHEMBL5510769 | 0.63 | POLA1 (1.00) | POLA1NR1H2NR1H3OPRK1TSHR | |
| SCHEMBL12872352 | 0.63 | POLA1 (1.00) | POLA1NR1H2NR1H3OPRK1TSHR | |
| SCHEMBL280198 | 0.63 | POLA1 (1.00) | POLA1NR1H2NR1H3OPRK1TSHR | |
| SCHEMBL445153 | 0.61 | CYP3A4 (0.51) | POLA1NR1H2NR1H3KMT2ATSHR | |
| SCHEMBL445154 | 0.61 | CYP3A4 (0.51) | POLA1NR1H2NR1H3KMT2ATSHR | |
| SCHEMBL17252006 | 0.61 | HSD11B1 (0.54) | HSD11B1OPRK1OPRM1LMNATSHR | |
| SCHEMBL15706482 | 0.61 | HSD11B1 (0.54) | HSD11B1OPRK1OPRM1LMNATSHR | |
| SCHEMBL20245506 | 0.59 | HSD11B1 (0.55) | HSD11B1OPRK1OPRM1LMNATSHR | |
| SCHEMBL18634018 | 0.58 | HSD11B1 (0.48) | POLA1HSD11B1TSHRCYP3A4CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1951748-A2 | HEPATITIS C VIRUS VARIANTS | Vertex Pharmaceuticals, Inc. (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007059221-A9 | HEPATITIS C VIRUS VARIANTS | VERTEX PHARMA (US) | 2007-08-23 | — | — | WO | disclosed |
| WO-2007059221-A2 | HEPATITIS C VIRUS VARIANTS | VERTEX PHARMACEUTICALS, INC (US) | 2007-05-24 | — | — | WO | disclosed |