Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 7/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | F2 | P00734 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5742165 | 0.96 | ACE (0.64) | ACENPC1TDP1F2POLB | |
| SCHEMBL3144462 | 0.96 | ACE (0.64) | ACENPC1TDP1F2POLB | |
| SCHEMBL6786409 | 0.90 | ACE (0.57) | ACEF2POLBACE2CHRM2 | |
| SCHEMBL7293220 | 0.90 | ACE (0.57) | ACEF2POLBACE2CHRM2 | |
| SCHEMBL7330019 | 0.87 | MEN1 (0.63) | ACENPC1MEN1RAB9AKMT2A | |
| SCHEMBL5741647 | 0.87 | MEN1 (0.63) | ACENPC1MEN1RAB9AKMT2A | |
| SCHEMBL5741652 | 0.87 | MEN1 (0.63) | ACENPC1MEN1RAB9AKMT2A | |
| SCHEMBL5742774 | 0.86 | ACE (0.60) | ACENPC1MEN1RAB9AKMT2A | |
| SCHEMBL5742769 | 0.86 | ACE (0.60) | ACENPC1MEN1RAB9AKMT2A | |
| SCHEMBL12798848 | 0.85 | ACE (0.55) | ACEPOLBACE2LTA4H |
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-2013007371-A2 | KINETIC RESOLUTION OF CHIRAL AMINES | ETH ZURICH (CH) | 2013-01-17 | — | — | WO | disclosed |