Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6574227 | 0.82 | SLC18A3 (0.45) | ALDH1A1POLBSIGMAR1SLC18A3LMNA | |
| SCHEMBL6104697 | 0.75 | MEN1 (0.52) | POLBSIGMAR1CHRM2CHRM3LMNA | |
| SCHEMBL6574027 | 0.69 | DRD2 (0.48) | ALDH1A1POLBSIGMAR1SLC18A3RAB9A | |
| SCHEMBL28614652 | 0.69 | ACHE (0.46) | ALDH1A1POLBSIGMAR1LMNARAB9A | |
| SCHEMBL2134171 | 0.69 | ALDH1A1 (1.00) | ALDH1A1POLBCCR5LMNARAB9A | |
| SCHEMBL9690903 | 0.66 | CHRM2 (0.51) | ALDH1A1CHRM2CHRM3LMNARAB9A | |
| SCHEMBL3687461 | 0.66 | KMT2A (0.44) | ALDH1A1POLBCHRM2CHRM3LMNA | |
| SCHEMBL7412896 | 0.66 | RAB9A (0.50) | ALDH1A1POLBCCR5SIGMAR1SLC18A3 | |
| SCHEMBL20124900 | 0.66 | ALDH1A1 (0.68) | ALDH1A1POLBCCR5LMNARAB9A | |
| SCHEMBL7144058 | 0.66 | MEN1 (0.65) | SIGMAR1MEN1KMT2A |
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-0824530-B1 | ARYL GLYCINAMIDE DERIVATIVES, METHODS OF PRODUCING THESE SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS | BOEHRINGER INGELHEIM PHARMA (DE) | 2005-03-02 | — | — | EP | claimed |