Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13003532 | 0.88 | CYP3A4 (0.59) | CYP2D6CYP3A4KMT2A | |
| SCHEMBL14624959 | 0.77 | NPSR1 (0.58) | ACKR3 | |
| SCHEMBL13003547 | 0.77 | KDM4E (0.60) | CYP2D6CYP3A4KMT2A | |
| SCHEMBL12640184 | 0.76 | SIGMAR1 (0.54) | CYP2D6CYP3A4KMT2A | |
| SCHEMBL27345675 | 0.75 | SIGMAR1 (0.57) | CYP2D6CYP3A4KMT2A | |
| SCHEMBL13003554 | 0.75 | KMT2A (0.71) | CYP2D6CYP3A4KMT2A | |
| SCHEMBL4591014 | 0.75 | LTA4H (0.57) | CYP2D6LTA4HACKR3 | |
| SCHEMBL4591727 | 0.75 | KDM4E (0.70) | CYP2D6LTA4HKMT2AACKR3 | |
| SCHEMBL4002837 | 0.74 | SIGMAR1 (0.59) | KMT2A | |
| SCHEMBL14456892 | 0.73 | MEN1 (0.63) | CYP2D6CYP3A4KMT2A |
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-2007001975-A1 | PIPERIDINE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS | SCHERING CORPORATION (US) | 2007-01-04 | — | — | WO | disclosed |