Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | GRM6 | O15303 | 1/20 | 0.35 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL2954149 | 0.84 | XDH (0.68) | XDHALDH1A1CYP3A4LMNAVCAM1 | |
| SCHEMBL30270558 | 0.84 | XDH (0.68) | XDHALDH1A1CYP3A4LMNAVCAM1 | |
| Water SCHEMBL28740590 | 0.82 | KMT2A (0.48) | ALDH1A1CYP3A4HTTTDP1POLB | |
| SCHEMBL203876 | 0.81 | KMT2A (0.50) | ALDH1A1CYP3A4HTTTDP1POLB | |
| SCHEMBL31353089 | 0.78 | GPR35 (0.52) | XDHALDH1A1CYP3A4VCAM1GPR35 | |
| SCHEMBL2964049 | 0.74 | XDH (0.77) | XDHALDH1A1CYP3A4LMNAVCAM1 | |
| SCHEMBL30589097 | 0.73 | XDH (0.66) | XDHALDH1A1CYP3A4LMNAVCAM1 | |
| SCHEMBL623229 | 0.73 | XDH (0.66) | XDHALDH1A1CYP3A4LMNAVCAM1 | |
| SCHEMBL1328418 | 0.73 | GPR35 (0.41) | ALDH1A1CYP3A4VCAM1GPR35GRM6 | |
| SCHEMBL986221 | 0.73 | TDP1 (0.52) | ALDH1A1CYP3A4LMNAGPR35HTT |
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-2004076425-A1 | IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS | CARNEGIE MELLON UNIVERSITY (US) | 2004-09-10 | — | — | WO | disclosed |