Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8404185 | 1.00 | EPHX1 (0.46) | EPHX1SIGMAR1L3MBTL1MAPTPAOX | |
| SCHEMBL9105070 | 1.00 | EPHX1 (0.46) | EPHX1SIGMAR1L3MBTL1MAPTPAOX | |
| SCHEMBL9233402 | 1.00 | EPHX1 (0.46) | EPHX1SIGMAR1L3MBTL1MAPTPAOX | |
| SCHEMBL10145416 | 0.77 | EPHX1 (0.42) | EPHX1SIGMAR1L3MBTL1PAOX | |
| SCHEMBL10786116 | 0.77 | EPHX1 (0.48) | EPHX1SIGMAR1L3MBTL1PAOX | |
| SCHEMBL9106221 | 0.76 | TSHR (0.46) | PAOX | |
| SCHEMBL9238051 | 0.76 | CYP2C19 (0.56) | MAPT | |
| SCHEMBL9239138 | 0.76 | TSHR (0.46) | PAOX | |
| SCHEMBL9239450 | 0.76 | TSHR (0.46) | PAOX | |
| SCHEMBL8406010 | 0.76 | CYP2C19 (0.56) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5874627-A | Process for preparing polyamine derivatives and intermediates thereof | MERRELL PHARMACEUTICALS INC. (US) | 1999-02-23 | — | — | US | disclosed |
| US-5756739-A | Process for preparing polyamine derivative and intermediates thereof | MERRELL PHARMACEUTICALS INC. (US) | 1998-05-26 | — | — | US | disclosed |
| WO-1995009832-A1 | NOVEL PROCESS FOR PREPARING POLYAMINE DERIVATIVES AND INTERMEDIATES THEREOF | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-04-13 | — | — | WO | disclosed |