Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 6/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 6/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 6/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9206404 | 0.78 | CA12 (0.63) | POLBKMT2ACYP1A2CYP2C19CA12 | |
| SCHEMBL4380156 | 0.77 | MAOA (0.70) | RAB9APOLBNPC1KMT2ACYP1A2 | |
| SCHEMBL6314665 | 0.76 | NPC1 (0.59) | RAB9APOLBNPC1KMT2ACYP1A2 | |
| SCHEMBL14517868 | 0.76 | HSD17B10 (0.59) | KMT2ACYP1A2CYP2C19CA12CA1 | |
| SCHEMBL11122026 | 0.73 | CA12 (0.73) | POLBAAK1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL9238594 | 0.72 | DHODH (0.57) | RAB9APOLBNPC1KMT2ACYP1A2 | |
| SCHEMBL21765666 | 0.72 | RAB9A (0.71) | RAB9APOLBNPC1KMT2ACYP1A2 | |
| SCHEMBL21765857 | 0.72 | RAB9A (1.00) | RAB9APOLBAAK1NPC1KMT2A | |
| SCHEMBL10917830 | 0.70 | KDM4E (0.63) | POLBKMT2ACYP1A2CYP2C19MEN1 | |
| SCHEMBL23518441 | 0.69 | RAB9A (0.69) | RAB9APOLBAAK1NPC1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0652214-A1 | N-Aryl-2-cyano-3-hydroxy propenamide derivatives, a method for their preparation, their use as medicaments and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1995-05-10 | — | — | EP | disclosed |