Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 3/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6025137 | 1.00 | SLC6A5 (0.41) | SLC6A5CTSKFAAHFFAR1FFAR4 | |
| SCHEMBL5694900 | 0.86 | FAAH (0.51) | SLC6A5FAAHGMNNUSP2LMNA | |
| SCHEMBL1941195 | 0.83 | CTSK (0.46) | CTSKCYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL1941197 | 0.83 | CTSK (0.46) | CTSKCYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL4551745 | 0.83 | TERT (0.46) | SLC6A5FAAHFFAR1FFAR4GMNN | |
| SCHEMBL4551744 | 0.83 | TERT (0.46) | SLC6A5FAAHFFAR1FFAR4GMNN | |
| SCHEMBL1942212 | 0.81 | EPHX2 (0.45) | SLC6A5FAAHEPHX2 | |
| SCHEMBL19139428 | 0.81 | MGLL (0.47) | FFAR1FFAR4LMNAALOX15HSD17B10 | |
| SCHEMBL1942211 | 0.81 | EPHX2 (0.45) | SLC6A5FAAHEPHX2 | |
| SCHEMBL14848244 | 0.79 | MGLL (0.58) | — |
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-1629000-A4 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2006-11-29 | — | — | EP | disclosed |
| EP-1629000-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | Bristol-Myers Squibb Company (US) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004094452-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |