Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL11109609 | 0.99 | ALDH1A1 (0.33) | ALDH1A1CYP1A2CYP3A4NPSR1RXRA | |
| SCHEMBL10801507 | 0.84 | GAA (0.33) | RXRARXRBRXRGKMT2A | |
| SCHEMBL10801217 | 0.79 | RXRA (0.32) | RXRARXRBRXRG | |
| SCHEMBL10803618 | 0.78 | RXRA (0.32) | RXRARXRBRXRG | |
| SCHEMBL11109991 | 0.74 | SIGMAR1 (0.34) | ALDH1A1CYP1A2CYP3A4NPSR1SIGMAR1 | |
| SCHEMBL946263 | 0.73 | LMNA (0.49) | ALDH1A1NPSR1KDM4EPKMKMT2A | |
| SCHEMBL11111614 | 0.72 | SIGMAR1 (0.35) | ALDH1A1CYP3A4HRH3SIGMAR1MEN1 | |
| SCHEMBL11110553 | 0.71 | LMNA (0.59) | ALDH1A1CYP1A2CYP3A4NPSR1 | |
| SCHEMBL11114385 | 0.70 | CXCR5 (0.36) | ALDH1A1NPSR1RXRARXRBRXRG | |
| SCHEMBL11107148 | 0.70 | ALDH1A1 (0.41) | ALDH1A1NPSR1KDM4EMEN1KMT2A |
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-0103173-A1 | Carbamic-acid esters, process and starting material for their preparation, parasiticides containing these esters as active products, as well as the use of such esters and agents in combating parasites | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-03-21 | — | — | EP | disclosed |