Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 8/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 4/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 3/20 | 0.45 |
| ▸ | MMP1 | P03956 | 2/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 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 | |
|---|---|---|---|---|
| SCHEMBL21236179 | 0.90 | — | — | |
| SCHEMBL7611700 | 0.78 | EPHX1 (0.61) | EPHX1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL14794983 | 0.76 | EPHX1 (0.52) | EPHX1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL967797 | 0.76 | EPHX1 (0.52) | EPHX1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL966980 | 0.74 | EPHX1 (0.56) | EPHX1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL15026806 | 0.73 | SIGMAR1 (0.43) | EPHX1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL746464 | 0.73 | EPHX1 (0.54) | EPHX1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL28529404 | 0.73 | EPHX1 (0.54) | EPHX1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL429506 | 0.72 | — | — | |
| SCHEMBL968500 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004094452-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |