Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.53 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.47 |
| ▸ | MME | P08473 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL23120332 | 0.83 | SMN1; SMN2 (0.49) | CTRB1CYP3A4MAPK1NPC1RAB9A | |
| SCHEMBL14350867 | 0.83 | SMN1; SMN2 (0.49) | CTRB1CYP3A4MAPK1NPC1RAB9A | |
| SCHEMBL8697513 | 0.82 | CTRB1 (0.70) | CTRB1CYP3A4 | |
| SCHEMBL7403909 | 0.82 | CTRB1 (0.70) | CTRB1CYP3A4 | |
| SCHEMBL18920536 | 0.82 | MME (0.42) | MME | |
| SCHEMBL21144902 | 0.82 | MME (0.42) | MME | |
| SCHEMBL3959317 | 0.80 | MAPK1 (0.68) | EPHX1CTRB1MMECYP3A4MAPK1 | |
| SCHEMBL3897966 | 0.80 | MAPK1 (0.68) | EPHX1CTRB1MMECYP3A4MAPK1 | |
| SCHEMBL2973301 | 0.80 | MAPK1 (0.68) | EPHX1CTRB1MMECYP3A4MAPK1 | |
| SCHEMBL1846487 | 0.79 | ATM (0.70) | CYP3A4 |
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-2012000608-A2 | NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES | GLUESENKAMP KARL-HEINZ (DE) | 2012-01-05 | — | — | WO | disclosed |