Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18537100 | 0.79 | LMNA (0.47) | LMNAMAPK1CES2CES1HPGD | |
| Mandelic Acid SCHEMBL29214389 | 0.73 | LMNA (0.86) | LMNAMAPK1CES2CES1HPGD | |
| Mandelic Acid SCHEMBL3622024 | 0.73 | LMNA (0.86) | LMNAMAPK1CES2CES1HPGD | |
| Benzoin SCHEMBL22499746 | 0.67 | LMNA (0.62) | LMNAMAPK1CES2CES1KMT2A | |
| SCHEMBL18545946 | 0.67 | LMNA (0.44) | LMNAMAPK1CES2CES1HPGD | |
| SCHEMBL3842809 | 0.67 | FAAH (0.52) | LMNAHPGDKMT2AGAAHDAC4 | |
| SCHEMBL10770457 | 0.66 | SRC (0.38) | LMNAMAPK1KMT2AAKR1C1CYP2D6 | |
| Mandelic Acid SCHEMBL21647917 | 0.66 | LMNA (1.00) | LMNAMAPK1CES2CES1HPGD | |
| Mandelic Acid SCHEMBL29777368 | 0.66 | LMNA (1.00) | LMNAMAPK1CES2CES1HPGD | |
| Mandelic Acid SCHEMBL255601 | 0.66 | LMNA (1.00) | LMNAMAPK1CES2CES1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-1642913-A | Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity (especially CCR5) | ASTRAZENECA AB (SE) | 2005-07-20 | — | — | CN | disclosed |